data_15 _audit_creation_method SHELXL-97 _chemical_name_systematic ; '[Dy(HIA)3(H2O)2]2n.2n(HgCl4).n(HgCl5).nH3O.3nH2O' ; _chemical_name_common '[Dy(HIA)3(H2O)2]2n.2n(HgCl4).n(HgCl5).nH3O.3nH2O' _chemical_melting_point 'not measured' _chemical_formula_moiety '[Dy(HIA)3(H2O)2]2n.2n(HgCl4).n(HgCl5).nH3O.3nH2O' _chemical_formula_sum 'C36 H47 Cl13 Dy2 Hg3 N6 O20' _chemical_formula_weight 2271.42 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Dy' 'Dy' -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Hg' 'Hg' -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C2/c' _symmetry_space_group_name_Hall '-C 2yc ' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 24.2350(4) _cell_length_b 20.8170(4) _cell_length_c 15.3597(2) _cell_angle_alpha 90.00 _cell_angle_beta 127.925(2) _cell_angle_gamma 90.00 _cell_volume 6112.51(17) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 10917 _cell_measurement_theta_min 3.9370 _cell_measurement_theta_max 29.1030 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 2.468 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4232 _exptl_absorpt_coefficient_mu 10.564 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.416 _exptl_absorpt_correction_T_max 0.655 _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'micro-focus sealed X-ray tube' _diffrn_radiation_monochromator mirror _diffrn_measurement_device_type 'SuperNova, Single source at offset/far, EosS2' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean 16.1787 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 16912 _diffrn_reflns_av_R_equivalents 0.0196 _diffrn_reflns_av_sigmaI/netI 0.0227 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 3.34 _diffrn_reflns_theta_max 25.03 _reflns_number_total 5296 _reflns_number_gt 4646 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)' _computing_cell_refinement 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+62.0648P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5296 _refine_ls_number_parameters 390 _refine_ls_number_restraints 19 _refine_ls_R_factor_all 0.0394 _refine_ls_R_factor_gt 0.0329 _refine_ls_wR_factor_ref 0.0893 _refine_ls_wR_factor_gt 0.0847 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.052 _refine_ls_shift/su_max 0.045 _refine_ls_shift/su_mean 0.001 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Hg2 Hg 0.217179(16) 0.526047(15) 0.42452(2) 0.04211(11) Uani 1 1 d . . . Hg1 Hg 0.48493(4) 0.28927(4) 1.27103(6) 0.05492(19) Uani 0.50 1 d P . . Dy1 Dy 0.381005(13) 0.256216(14) 0.61662(2) 0.02104(10) Uani 1 1 d . . . Cl7 Cl 0.09434(8) 0.48191(8) 0.33547(13) 0.0326(4) Uani 1 1 d . . . Cl6 Cl 0.26492(10) 0.45622(10) 0.35579(16) 0.0464(5) Uani 1 1 d . . . Cl5 Cl 0.27530(11) 0.52293(10) 0.62296(15) 0.0485(5) Uani 1 1 d . . . Cl4 Cl 0.19970(13) 0.63600(10) 0.35001(16) 0.0527(5) Uani 1 1 d . . . Cl3 Cl 0.39477(16) 0.34889(17) 1.1330(3) 0.0952(10) Uani 1 1 d . . . Cl2 Cl 0.4637(2) 0.2640(2) 1.4050(4) 0.1071(11) Uani 1 1 d . . . Cl1 Cl 0.5000 0.1742(2) 1.2500 0.1212(19) Uani 1 2 d S . . O6 O 0.5524(2) 0.3374(2) 0.8938(4) 0.0343(11) Uani 1 1 d . . . O5 O 0.4379(2) 0.3169(2) 0.7861(4) 0.0331(11) Uani 1 1 d . . . O4 O 0.2084(2) 0.2490(2) 0.3627(4) 0.0299(10) Uani 1 1 d . . . O3 O 0.3173(2) 0.2610(2) 0.4201(3) 0.0305(10) Uani 1 1 d . . . O2 O 0.5735(2) 0.1779(2) 0.7412(3) 0.0289(10) Uani 1 1 d . . . O1 O 0.4603(2) 0.1964(2) 0.6057(4) 0.0333(11) Uani 1 1 d . . . O4W O 0.4222(3) 0.4749(3) 0.6716(5) 0.0478(14) Uani 1 1 d D . . O3W O 0.2207(5) 0.3958(4) 0.6675(6) 0.082(2) Uani 1 1 d D . . O2W O 0.3168(2) 0.3603(2) 0.5553(4) 0.0321(10) Uani 1 1 d D . . H2WA H 0.2757 0.3539 0.5280 0.048 Uiso 1 1 calc RD . . O1W O 0.3259(2) 0.1479(2) 0.5346(3) 0.0253(9) Uani 1 1 d D . . H1WA H 0.3154 0.1451 0.4728 0.038 Uiso 1 1 calc R . . N3 N 0.4695(5) 0.4534(4) 1.0738(7) 0.075(3) Uani 1 1 d D . . H3A H 0.4646 0.4752 1.1162 0.090 Uiso 1 1 calc RD . . N2 N 0.1774(3) 0.2993(3) 0.0225(5) 0.0489(17) Uani 1 1 d D . . H2B H 0.1621 0.3083 -0.0436 0.059 Uiso 1 1 calc R . . N1 N 0.5297(3) 0.0520(3) 0.4361(5) 0.0501(18) Uani 1 1 d D . . H1B H 0.5328 0.0294 0.3924 0.060 Uiso 1 1 calc R . . C18 C 0.4920(3) 0.3424(3) 0.8658(5) 0.0220(12) Uani 1 1 d . . . C17 C 0.5324(5) 0.4375(4) 1.1086(7) 0.067(3) Uani 1 1 d D . . H17A H 0.5710 0.4496 1.1791 0.080 Uiso 1 1 calc R . . C16 C 0.5426(3) 0.4031(4) 1.0420(5) 0.0455(19) Uani 1 1 d D . . H16A H 0.5874 0.3933 1.0660 0.055 Uiso 1 1 calc R . . C15 C 0.4839(3) 0.3835(3) 0.9385(5) 0.0284(14) Uani 1 1 d D . . C14 C 0.4192(4) 0.4013(4) 0.9049(7) 0.0450(19) Uani 1 1 d D . . H14A H 0.3791 0.3897 0.8355 0.054 Uiso 1 1 calc R . . C13 C 0.4148(5) 0.4370(5) 0.9769(8) 0.073(3) Uani 1 1 d D . . H13A H 0.3710 0.4494 0.9545 0.088 Uiso 1 1 calc R . . C12 C 0.2530(3) 0.2595(3) 0.3478(5) 0.0210(12) Uani 1 1 d . . . C11 C 0.2444(3) 0.3087(4) 0.1039(6) 0.0459(19) Uani 1 1 d D . . H11A H 0.2735 0.3253 0.0890 0.055 Uiso 1 1 calc R . . C10 C 0.2713(4) 0.2942(4) 0.2106(6) 0.0346(16) Uani 1 1 d . . . H10A H 0.3187 0.2991 0.2683 0.042 Uiso 1 1 calc R . . C9 C 0.2260(3) 0.2723(3) 0.2298(5) 0.0218(12) Uani 1 1 d . . . C8 C 0.1568(3) 0.2625(4) 0.1423(4) 0.0358(17) Uani 1 1 d D . . H8A H 0.1261 0.2462 0.1540 0.043 Uiso 1 1 calc R . . C7 C 0.1335(4) 0.2770(4) 0.0369(5) 0.052(2) Uani 1 1 d D . . H7A H 0.0867 0.2709 -0.0231 0.062 Uiso 1 1 calc R . . C6 C 0.5174(3) 0.1696(3) 0.6469(5) 0.0212(12) Uani 1 1 d . . . C5 C 0.4701(4) 0.0814(4) 0.3951(6) 0.051(2) Uani 1 1 d D . . H5A H 0.4324 0.0771 0.3207 0.061 Uiso 1 1 calc R . . C4 C 0.4638(4) 0.1183(3) 0.4625(5) 0.0357(16) Uani 1 1 d D . . H4A H 0.4219 0.1390 0.4345 0.043 Uiso 1 1 calc R . . C3 C 0.5210(3) 0.1246(3) 0.5735(5) 0.0229(12) Uani 1 1 d . . . C2 C 0.5824(4) 0.0924(4) 0.6133(6) 0.0338(15) Uani 1 1 d . . . H2A H 0.6211 0.0956 0.6873 0.041 Uiso 1 1 calc R . . C1 C 0.5849(4) 0.0557(4) 0.5411(6) 0.048(2) Uani 1 1 d D . . H1A H 0.6256 0.0335 0.5663 0.057 Uiso 1 1 calc R . . H3WA H 0.221(5) 0.396(6) 0.723(5) 0.08(3) Uiso 1 1 d D . . H2WB H 0.305(3) 0.380(3) 0.498(3) 0.022(17) Uiso 1 1 d D . . H1WB H 0.337(2) 0.165(14) 0.594(10) 0.32(15) Uiso 1 1 d D . . H4WA H 0.384(2) 0.488(4) 0.658(6) 0.03(2) Uiso 1 1 d D . . H3WB H 0.217(8) 0.433(3) 0.643(12) 0.13(6) Uiso 1 1 d D . . H4WB H 0.403(7) 0.466(2) 0.701(11) 0.14(7) Uiso 1 1 d D . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Hg2 0.04571(18) 0.0465(2) 0.03931(18) 0.00495(13) 0.02877(15) 0.00289(13) Hg1 0.0538(4) 0.0620(5) 0.0454(4) 0.0059(3) 0.0287(3) 0.0136(3) Dy1 0.01707(15) 0.02569(17) 0.01935(16) 0.00191(11) 0.01068(12) 0.00070(11) Cl7 0.0325(8) 0.0348(9) 0.0316(8) 0.0013(7) 0.0203(7) 0.0061(7) Cl6 0.0494(10) 0.0543(12) 0.0463(11) 0.0004(9) 0.0349(9) 0.0063(9) Cl5 0.0545(11) 0.0581(13) 0.0322(9) -0.0021(8) 0.0262(9) -0.0103(9) Cl4 0.0874(15) 0.0376(11) 0.0440(10) -0.0007(8) 0.0459(11) -0.0042(10) Cl3 0.0730(17) 0.088(2) 0.147(3) -0.019(2) 0.079(2) -0.0070(16) Cl2 0.115(3) 0.098(3) 0.117(3) -0.008(2) 0.075(2) -0.003(2) Cl1 0.157(5) 0.055(3) 0.154(5) 0.000 0.097(4) 0.000 O6 0.030(2) 0.032(3) 0.050(3) -0.006(2) 0.029(2) 0.003(2) O5 0.029(2) 0.037(3) 0.027(2) -0.010(2) 0.014(2) -0.007(2) O4 0.029(2) 0.039(3) 0.030(2) 0.0024(19) 0.022(2) 0.001(2) O3 0.020(2) 0.045(3) 0.019(2) 0.0078(19) 0.0082(19) 0.0000(19) O2 0.034(2) 0.024(2) 0.021(2) -0.0057(17) 0.013(2) 0.0000(19) O1 0.028(2) 0.036(3) 0.041(3) -0.002(2) 0.024(2) 0.007(2) O4W 0.045(3) 0.054(4) 0.050(3) 0.000(3) 0.031(3) -0.006(3) O3W 0.134(7) 0.078(6) 0.061(4) -0.035(4) 0.073(5) -0.052(5) O2W 0.024(2) 0.030(3) 0.043(3) 0.009(2) 0.021(2) 0.0053(19) O1W 0.025(2) 0.023(2) 0.023(2) 0.0021(17) 0.0126(18) -0.0003(18) N3 0.157(10) 0.036(4) 0.098(7) -0.002(4) 0.112(8) 0.003(5) N2 0.069(5) 0.055(4) 0.022(3) 0.007(3) 0.027(3) 0.009(4) N1 0.095(6) 0.032(4) 0.050(4) -0.012(3) 0.058(5) -0.004(4) C18 0.023(3) 0.019(3) 0.025(3) 0.000(2) 0.015(3) 0.003(2) C17 0.114(9) 0.051(6) 0.044(5) -0.015(4) 0.052(6) -0.020(6) C16 0.051(4) 0.047(5) 0.037(4) -0.014(3) 0.026(4) -0.005(4) C15 0.036(3) 0.025(3) 0.032(3) 0.001(3) 0.025(3) 0.000(3) C14 0.043(4) 0.044(5) 0.063(5) 0.006(4) 0.040(4) 0.013(4) C13 0.098(8) 0.067(7) 0.105(9) 0.013(6) 0.087(8) 0.030(6) C12 0.024(3) 0.021(3) 0.022(3) 0.000(2) 0.016(3) 0.002(2) C11 0.068(5) 0.043(5) 0.043(4) 0.003(4) 0.043(5) -0.005(4) C10 0.037(4) 0.045(4) 0.029(4) 0.003(3) 0.024(3) -0.005(3) C9 0.021(3) 0.024(3) 0.018(3) -0.002(2) 0.011(2) 0.001(2) C8 0.023(3) 0.058(5) 0.019(3) -0.009(3) 0.010(3) -0.003(3) C7 0.044(4) 0.074(6) 0.020(4) -0.006(4) 0.010(3) 0.007(4) C6 0.025(3) 0.022(3) 0.021(3) 0.000(2) 0.016(3) 0.003(2) C5 0.069(6) 0.050(5) 0.031(4) -0.014(4) 0.029(4) -0.013(4) C4 0.033(3) 0.044(4) 0.023(3) -0.008(3) 0.013(3) -0.001(3) C3 0.024(3) 0.025(3) 0.022(3) -0.001(2) 0.015(3) 0.001(3) C2 0.035(4) 0.038(4) 0.035(4) 0.002(3) 0.025(3) 0.008(3) C1 0.070(6) 0.032(4) 0.073(6) 0.009(4) 0.060(5) 0.018(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Hg2 Cl5 2.4498(18) . ? Hg2 Cl6 2.4631(19) . ? Hg2 Cl4 2.476(2) . ? Hg2 Cl7 2.5637(17) . ? Hg1 Hg1 1.2374(14) 2_657 ? Hg1 Cl3 2.262(4) . ? Hg1 Cl2 2.465(4) . ? Hg1 Cl1 2.474(5) . ? Hg1 Cl3 2.633(3) 2_657 ? Dy1 O4 2.378(4) 7_556 ? Dy1 O1 2.382(4) . ? Dy1 O2 2.384(4) 2_656 ? Dy1 O3 2.403(4) . ? Dy1 O6 2.409(4) 2_656 ? Dy1 O5 2.421(4) . ? Dy1 O2W 2.489(4) . ? Dy1 O1W 2.528(4) . ? Cl3 Hg1 2.633(3) 2_657 ? Cl1 Hg1 2.474(5) 2_657 ? O6 C18 1.252(7) . ? O6 Dy1 2.409(4) 2_656 ? O5 C18 1.235(7) . ? O4 C12 1.254(7) . ? O4 Dy1 2.378(4) 7_556 ? O3 C12 1.238(7) . ? O2 C6 1.247(7) . ? O2 Dy1 2.384(4) 2_656 ? O1 C6 1.244(7) . ? O4W H4WA 0.849(5) . ? O4W H4WB 0.849(5) . ? O3W H3WA 0.849(5) . ? O3W H3WB 0.850(5) . ? O2W H2WA 0.8200 . ? O2W H2WB 0.849(5) . ? O1W H1WA 0.8200 . ? O1W H1WB 0.850(5) . ? N3 C13 1.290(5) . ? N3 C17 1.310(5) . ? N3 H3A 0.8600 . ? N2 C7 1.300(5) . ? N2 C11 1.320(5) . ? N2 H2B 0.8600 . ? N1 C5 1.320(5) . ? N1 C1 1.321(5) . ? N1 H1B 0.8600 . ? C18 C15 1.512(8) . ? C17 C16 1.390(5) . ? C17 H17A 0.9300 . ? C16 C15 1.391(5) . ? C16 H16A 0.9300 . ? C15 C14 1.366(9) . ? C14 C13 1.390(5) . ? C14 H14A 0.9300 . ? C13 H13A 0.9300 . ? C12 C9 1.526(8) . ? C11 C10 1.375(10) . ? C11 H11A 0.9300 . ? C10 C9 1.377(9) . ? C10 H10A 0.9300 . ? C9 C8 1.375(9) . ? C8 C7 1.380(5) . ? C8 H8A 0.9300 . ? C7 H7A 0.9300 . ? C6 C3 1.509(8) . ? C5 C4 1.370(5) . ? C5 H5A 0.9300 . ? C4 C3 1.392(9) . ? C4 H4A 0.9300 . ? C3 C2 1.385(9) . ? C2 C1 1.380(10) . ? C2 H2A 0.9300 . ? C1 H1A 0.9300 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Cl5 Hg2 Cl6 117.09(7) . . ? Cl5 Hg2 Cl4 113.81(7) . . ? Cl6 Hg2 Cl4 109.84(7) . . ? Cl5 Hg2 Cl7 104.20(6) . . ? Cl6 Hg2 Cl7 104.90(6) . . ? Cl4 Hg2 Cl7 105.79(7) . . ? Hg1 Hg1 Cl3 92.91(10) 2_657 . ? Hg1 Hg1 Cl2 158.25(12) 2_657 . ? Cl3 Hg1 Cl2 108.84(13) . . ? Hg1 Hg1 Cl1 75.52(3) 2_657 . ? Cl3 Hg1 Cl1 122.96(9) . . ? Cl2 Hg1 Cl1 91.45(10) . . ? Hg1 Hg1 Cl3 59.10(10) 2_657 2_657 ? Cl3 Hg1 Cl3 111.44(15) . 2_657 ? Cl2 Hg1 Cl3 111.14(13) . 2_657 ? Cl1 Hg1 Cl3 109.15(8) . 2_657 ? O4 Dy1 O1 145.81(17) 7_556 . ? O4 Dy1 O2 78.06(16) 7_556 2_656 ? O1 Dy1 O2 76.60(16) . 2_656 ? O4 Dy1 O3 103.57(15) 7_556 . ? O1 Dy1 O3 81.76(16) . . ? O2 Dy1 O3 139.24(16) 2_656 . ? O4 Dy1 O6 138.01(16) 7_556 2_656 ? O1 Dy1 O6 76.08(16) . 2_656 ? O2 Dy1 O6 126.09(16) 2_656 2_656 ? O3 Dy1 O6 80.04(16) . 2_656 ? O4 Dy1 O5 80.96(15) 7_556 . ? O1 Dy1 O5 113.46(16) . . ? O2 Dy1 O5 74.60(16) 2_656 . ? O3 Dy1 O5 146.15(17) . . ? O6 Dy1 O5 75.16(16) 2_656 . ? O4 Dy1 O2W 71.40(15) 7_556 . ? O1 Dy1 O2W 140.53(16) . . ? O2 Dy1 O2W 140.47(16) 2_656 . ? O3 Dy1 O2W 73.66(16) . . ? O6 Dy1 O2W 69.68(15) 2_656 . ? O5 Dy1 O2W 76.31(16) . . ? O4 Dy1 O1W 77.29(15) 7_556 . ? O1 Dy1 O1W 72.60(15) . . ? O2 Dy1 O1W 69.60(14) 2_656 . ? O3 Dy1 O1W 71.14(15) . . ? O6 Dy1 O1W 139.78(15) 2_656 . ? O5 Dy1 O1W 141.09(15) . . ? O2W Dy1 O1W 124.87(15) . . ? Hg1 Cl3 Hg1 28.00(5) . 2_657 ? Hg1 Cl1 Hg1 28.96(7) 2_657 . ? C18 O6 Dy1 136.5(4) . 2_656 ? C18 O5 Dy1 147.7(4) . . ? C12 O4 Dy1 172.2(4) . 7_556 ? C12 O3 Dy1 127.4(4) . . ? C6 O2 Dy1 136.0(4) . 2_656 ? C6 O1 Dy1 153.1(4) . . ? H4WA O4W H4WB 48(9) . . ? H3WA O3W H3WB 112(10) . . ? Dy1 O2W H2WA 109.5 . . ? Dy1 O2W H2WB 123(5) . . ? H2WA O2W H2WB 91.5 . . ? Dy1 O1W H1WA 109.5 . . ? Dy1 O1W H1WB 51(10) . . ? H1WA O1W H1WB 159.8 . . ? C13 N3 C17 121.2(8) . . ? C13 N3 H3A 119.4 . . ? C17 N3 H3A 119.4 . . ? C7 N2 C11 123.5(6) . . ? C7 N2 H2B 118.3 . . ? C11 N2 H2B 118.3 . . ? C5 N1 C1 123.1(6) . . ? C5 N1 H1B 118.5 . . ? C1 N1 H1B 118.5 . . ? O5 C18 O6 127.7(6) . . ? O5 C18 C15 115.8(5) . . ? O6 C18 C15 116.6(5) . . ? N3 C17 C16 121.1(8) . . ? N3 C17 H17A 119.4 . . ? C16 C17 H17A 119.4 . . ? C17 C16 C15 118.3(7) . . ? C17 C16 H16A 120.9 . . ? C15 C16 H16A 120.9 . . ? C14 C15 C16 118.8(6) . . ? C14 C15 C18 120.9(5) . . ? C16 C15 C18 120.3(5) . . ? C15 C14 C13 118.4(7) . . ? C15 C14 H14A 120.8 . . ? C13 C14 H14A 120.8 . . ? N3 C13 C14 122.2(8) . . ? N3 C13 H13A 118.9 . . ? C14 C13 H13A 118.9 . . ? O3 C12 O4 126.3(6) . . ? O3 C12 C9 116.4(5) . . ? O4 C12 C9 117.4(5) . . ? N2 C11 C10 120.1(6) . . ? N2 C11 H11A 119.9 . . ? C10 C11 H11A 119.9 . . ? C11 C10 C9 118.2(6) . . ? C11 C10 H10A 120.9 . . ? C9 C10 H10A 120.9 . . ? C8 C9 C10 119.6(6) . . ? C8 C9 C12 120.6(5) . . ? C10 C9 C12 119.8(5) . . ? C9 C8 C7 119.2(6) . . ? C9 C8 H8A 120.4 . . ? C7 C8 H8A 120.4 . . ? N2 C7 C8 119.3(6) . . ? N2 C7 H7A 120.3 . . ? C8 C7 H7A 120.3 . . ? O1 C6 O2 127.3(5) . . ? O1 C6 C3 117.1(5) . . ? O2 C6 C3 115.5(5) . . ? N1 C5 C4 119.8(6) . . ? N1 C5 H5A 120.1 . . ? C4 C5 H5A 120.1 . . ? C5 C4 C3 119.3(6) . . ? C5 C4 H4A 120.4 . . ? C3 C4 H4A 120.4 . . ? C2 C3 C4 119.1(6) . . ? C2 C3 C6 120.7(5) . . ? C4 C3 C6 120.1(5) . . ? C1 C2 C3 118.6(6) . . ? C1 C2 H2A 120.7 . . ? C3 C2 H2A 120.7 . . ? N1 C1 C2 120.1(6) . . ? N1 C1 H1A 119.9 . . ? C2 C1 H1A 119.9 . . ? _diffrn_measured_fraction_theta_max 0.980 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.980 _refine_diff_density_max 3.151 _refine_diff_density_min -1.369 _refine_diff_density_rms 0.155