# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_email ecitluofeng@163.com _publ_contact_author_name 'Feng Luo' _publ_author_name 'Feng Luo' data_1 _database_code_depnum_ccdc_archive 'CCDC 845006' #TrackingRef '1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C90 H58 Dy2 N4 O14' _chemical_formula_weight 1744.40 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' O O 0.0106 0.0060 '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' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.4091(5) _cell_length_b 12.4765(5) _cell_length_c 14.3009(6) _cell_angle_alpha 73.632(2) _cell_angle_beta 66.354(2) _cell_angle_gamma 63.883(2) _cell_volume 1806.15(13) _cell_formula_units_Z 1 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 9851 _cell_measurement_theta_min 2.99 _cell_measurement_theta_max 27.68 _exptl_crystal_description Block _exptl_crystal_colour yellowish _exptl_crystal_size_max 0.60 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.604 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 870 _exptl_absorpt_coefficient_mu 2.126 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.3619 _exptl_absorpt_correction_T_max 0.5679 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 25972 _diffrn_reflns_av_R_equivalents 0.0209 _diffrn_reflns_av_sigmaI/netI 0.0169 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.83 _diffrn_reflns_theta_max 25.00 _reflns_number_total 6353 _reflns_number_gt 6166 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0189P)^2^+0.8789P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6353 _refine_ls_number_parameters 496 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0166 _refine_ls_R_factor_gt 0.0159 _refine_ls_wR_factor_ref 0.0406 _refine_ls_wR_factor_gt 0.0402 _refine_ls_goodness_of_fit_ref 1.078 _refine_ls_restrained_S_all 1.078 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 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 C1 C 1.1927(2) 0.32825(18) 0.83590(15) 0.0313(4) Uani 1 1 d . . . C2 C 1.2842(2) 0.3736(2) 0.82430(17) 0.0400(5) Uani 1 1 d . . . C3 C 1.3440(2) 0.1420(2) 0.80041(18) 0.0423(5) Uani 1 1 d . . . H3 H 1.3659 0.0633 0.7911 0.051 Uiso 1 1 calc R . . C4 C 0.76709(18) 0.15513(18) 1.09773(15) 0.0297(4) Uani 1 1 d . . . C5 C 1.0019(2) 0.2122(2) 0.70243(16) 0.0361(5) Uani 1 1 d . . . C6 C 0.8566(2) 0.4363(2) 0.88629(18) 0.0422(5) Uani 1 1 d . . . H6 H 0.7977 0.4065 0.8910 0.051 Uiso 1 1 calc R . . C7 C 1.07706(18) 0.08217(17) 1.09627(15) 0.0278(4) Uani 1 1 d . . . C8 C 0.8977(3) 0.3735(2) 0.46251(18) 0.0497(6) Uani 1 1 d . . . C9 C 0.8961(2) 0.3044(2) 0.56033(16) 0.0411(5) Uani 1 1 d . . . C10 C 0.9984(2) 0.2741(2) 0.59577(16) 0.0385(5) Uani 1 1 d . . . C11 C 1.0987(2) 0.3066(2) 0.53312(18) 0.0481(6) Uani 1 1 d . . . H11 H 1.1675 0.2832 0.5556 0.058 Uiso 1 1 calc R . . C12 C 1.1016(3) 0.3738(3) 0.43613(19) 0.0569(7) Uani 1 1 d . . . H12 H 1.1713 0.3948 0.3952 0.068 Uiso 1 1 calc R . . C13 C 0.8146(2) 0.5572(2) 0.8964(2) 0.0512(6) Uani 1 1 d . . . H13 H 0.7298 0.6066 0.9069 0.061 Uiso 1 1 calc R . . C14 C 0.8991(3) 0.6022(2) 0.89089(19) 0.0491(6) Uani 1 1 d . . . H14 H 0.8719 0.6818 0.9006 0.059 Uiso 1 1 calc R . . C15 C 1.0272(2) 0.52792(19) 0.87041(16) 0.0392(5) Uani 1 1 d . . . C16 C 1.0621(2) 0.40695(18) 0.86010(15) 0.0313(4) Uani 1 1 d . . . C17 C 1.2449(3) 0.4963(2) 0.83665(19) 0.0497(6) Uani 1 1 d . . . H17 H 1.3055 0.5257 0.8290 0.060 Uiso 1 1 calc R . . C18 C 0.5927(2) 0.3530(2) 1.1099(2) 0.0448(5) Uani 1 1 d . . . H18 H 0.6263 0.3661 1.0386 0.054 Uiso 1 1 calc R . . C19 C 0.65115(18) 0.24582(18) 1.16163(16) 0.0331(4) Uani 1 1 d . . . C20 C 0.5997(2) 0.2248(2) 1.27159(17) 0.0390(5) Uani 1 1 d . . . C21 C 1.09954(19) 0.07637(17) 1.19255(15) 0.0292(4) Uani 1 1 d . . . C22 C 1.0059(2) 0.0700(2) 1.28415(17) 0.0415(5) Uani 1 1 d . . . H22 H 0.9363 0.0580 1.2857 0.050 Uiso 1 1 calc R . . C23 C 1.20824(19) 0.09193(17) 1.18933(16) 0.0313(4) Uani 1 1 d . . . C24 C 1.3094(2) 0.0982(2) 1.09745(18) 0.0399(5) Uani 1 1 d . . . H24 H 1.3089 0.0868 1.0361 0.048 Uiso 1 1 calc R . . C25 C 1.2145(2) 0.1034(2) 1.28290(19) 0.0421(5) Uani 1 1 d . . . C26 C 0.4838(2) 0.4437(2) 1.1613(3) 0.0589(7) Uani 1 1 d . . . H26 H 0.4456 0.5152 1.1241 0.071 Uiso 1 1 calc R . . C27 C 0.7935(2) 0.2631(3) 0.6145(2) 0.0554(7) Uani 1 1 d . . . H27 H 0.7897 0.2168 0.6785 0.066 Uiso 1 1 calc R . . C28 C 0.7971(3) 0.4038(3) 0.4249(2) 0.0712(9) Uani 1 1 d . . . H28 H 0.7967 0.4523 0.3622 0.085 Uiso 1 1 calc R . . C29 C 0.7024(3) 0.3637(4) 0.4781(3) 0.0860(11) Uani 1 1 d . . . H29 H 0.6371 0.3841 0.4522 0.103 Uiso 1 1 calc R . . C30 C 0.7018(3) 0.2908(4) 0.5735(2) 0.0749(9) Uani 1 1 d . . . H30 H 0.6373 0.2611 0.6088 0.090 Uiso 1 1 calc R . . C31 C 1.4105(2) 0.2938(2) 0.8010(2) 0.0507(6) Uani 1 1 d . . . H31 H 1.4736 0.3192 0.7944 0.061 Uiso 1 1 calc R . . C32 C 1.4410(2) 0.1789(2) 0.7881(2) 0.0524(6) Uani 1 1 d . . . H32 H 1.5250 0.1256 0.7713 0.063 Uiso 1 1 calc R . . C33 C 1.1226(3) 0.5701(2) 0.85899(19) 0.0497(6) Uani 1 1 d . . . H33 H 1.0996 0.6495 0.8671 0.060 Uiso 1 1 calc R . . C34 C 0.4348(2) 0.4269(3) 1.2646(3) 0.0611(8) Uani 1 1 d . . . H34 H 0.3630 0.4875 1.2982 0.073 Uiso 1 1 calc R . . C35 C 0.4904(2) 0.3191(3) 1.3226(2) 0.0524(6) Uani 1 1 d . . . C36 C 0.4393(3) 0.3006(4) 1.4316(3) 0.0762(10) Uani 1 1 d . . . H36 H 0.3688 0.3618 1.4656 0.091 Uiso 1 1 calc R . . C37 C 0.4904(4) 0.1969(4) 1.4863(2) 0.0892(12) Uani 1 1 d . . . H37 H 0.4546 0.1864 1.5576 0.107 Uiso 1 1 calc R . . C38 C 0.5973(3) 0.1046(4) 1.4368(2) 0.0769(9) Uani 1 1 d . . . H38 H 0.6322 0.0330 1.4756 0.092 Uiso 1 1 calc R . . C39 C 0.6514(2) 0.1178(3) 1.33218(19) 0.0508(6) Uani 1 1 d . . . H39 H 0.7231 0.0556 1.3007 0.061 Uiso 1 1 calc R . . C40 C 1.1150(3) 0.0974(2) 1.37467(19) 0.0545(7) Uani 1 1 d . . . H40 H 1.1192 0.1047 1.4360 0.065 Uiso 1 1 calc R . . C41 C 1.0139(3) 0.0814(2) 1.37597(18) 0.0550(7) Uani 1 1 d . . . H41 H 0.9493 0.0778 1.4377 0.066 Uiso 1 1 calc R . . C42 C 1.3188(3) 0.1263(2) 1.2791(2) 0.0579(7) Uani 1 1 d . . . H42 H 1.3239 0.1343 1.3398 0.069 Uiso 1 1 calc R . . C43 C 1.4102(3) 0.1368(2) 1.1896(3) 0.0641(8) Uani 1 1 d . . . H43 H 1.4759 0.1547 1.1888 0.077 Uiso 1 1 calc R . . C44 C 1.4069(2) 0.1208(2) 1.0976(2) 0.0555(7) Uani 1 1 d . . . H44 H 1.4718 0.1256 1.0365 0.067 Uiso 1 1 calc R . . C45 C 1.0026(3) 0.4082(3) 0.40230(19) 0.0595(7) Uani 1 1 d . . . H45 H 1.0033 0.4550 0.3388 0.071 Uiso 1 1 calc R . . Dy1 Dy 1.036994(8) 0.135871(7) 0.894398(6) 0.02464(4) Uani 1 1 d . . . N1 N 0.97581(16) 0.36181(15) 0.87039(13) 0.0327(4) Uani 1 1 d . . . N2 N 1.22338(16) 0.21307(15) 0.82455(13) 0.0324(4) Uani 1 1 d . . . O1 O 1.09340(14) 0.16410(13) 1.02448(11) 0.0368(3) Uani 1 1 d . . . O2 O 0.78518(13) 0.04495(12) 1.12429(11) 0.0344(3) Uani 1 1 d . . . O3 O 0.83725(13) 0.19815(12) 1.01969(11) 0.0353(3) Uani 1 1 d . . . O4 O 1.03632(14) 0.00938(13) 1.08919(12) 0.0381(3) Uani 1 1 d . . . O5 O 1.10758(15) 0.14835(15) 0.71374(11) 0.0431(4) Uani 1 1 d . . . O6 O 0.90202(14) 0.23122(14) 0.77880(11) 0.0411(4) Uani 1 1 d . . . O7 O 0.6566(3) 0.2222(3) 0.8904(2) 0.1219(11) Uani 1 1 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 C1 0.0414(11) 0.0318(11) 0.0252(10) 0.0022(8) -0.0116(8) -0.0201(9) C2 0.0502(13) 0.0443(13) 0.0359(11) 0.0013(10) -0.0157(10) -0.0288(11) C3 0.0364(12) 0.0370(12) 0.0471(13) -0.0049(10) -0.0070(10) -0.0142(10) C4 0.0276(10) 0.0299(10) 0.0338(10) -0.0040(8) -0.0122(8) -0.0106(8) C5 0.0468(13) 0.0376(12) 0.0302(11) -0.0070(9) -0.0124(10) -0.0195(10) C6 0.0391(12) 0.0322(11) 0.0486(13) 0.0018(10) -0.0151(10) -0.0108(10) C7 0.0272(10) 0.0279(10) 0.0316(10) -0.0086(8) -0.0109(8) -0.0089(8) C8 0.0598(15) 0.0509(14) 0.0343(12) -0.0070(11) -0.0211(11) -0.0108(12) C9 0.0476(13) 0.0435(13) 0.0278(10) -0.0076(9) -0.0127(9) -0.0109(10) C10 0.0469(13) 0.0394(12) 0.0298(11) -0.0052(9) -0.0124(9) -0.0162(10) C11 0.0563(15) 0.0561(15) 0.0372(12) -0.0023(11) -0.0152(11) -0.0276(12) C12 0.0711(18) 0.0685(18) 0.0353(13) 0.0036(12) -0.0102(12) -0.0420(15) C13 0.0462(14) 0.0314(12) 0.0573(15) -0.0014(11) -0.0148(12) -0.0026(11) C14 0.0650(16) 0.0233(11) 0.0485(14) -0.0019(10) -0.0161(12) -0.0110(11) C15 0.0575(14) 0.0284(11) 0.0321(11) 0.0006(9) -0.0146(10) -0.0187(10) C16 0.0448(12) 0.0262(10) 0.0250(9) 0.0033(8) -0.0138(9) -0.0167(9) C17 0.0672(17) 0.0489(14) 0.0518(14) -0.0017(12) -0.0212(13) -0.0387(14) C18 0.0359(12) 0.0356(12) 0.0573(15) -0.0055(11) -0.0136(11) -0.0101(10) C19 0.0276(10) 0.0316(11) 0.0435(12) -0.0090(9) -0.0095(9) -0.0132(9) C20 0.0321(11) 0.0484(13) 0.0438(12) -0.0153(10) -0.0086(9) -0.0189(10) C21 0.0374(11) 0.0231(9) 0.0307(10) -0.0030(8) -0.0142(8) -0.0116(8) C22 0.0480(13) 0.0438(13) 0.0356(12) -0.0044(10) -0.0104(10) -0.0226(11) C23 0.0373(11) 0.0230(9) 0.0383(11) -0.0038(8) -0.0203(9) -0.0079(8) C24 0.0356(11) 0.0360(12) 0.0474(13) -0.0068(10) -0.0158(10) -0.0097(9) C25 0.0536(14) 0.0317(11) 0.0505(14) -0.0082(10) -0.0314(11) -0.0093(10) C26 0.0380(13) 0.0393(14) 0.089(2) -0.0121(14) -0.0189(14) -0.0039(11) C27 0.0514(15) 0.0772(19) 0.0422(13) -0.0100(13) -0.0149(11) -0.0266(14) C28 0.074(2) 0.089(2) 0.0469(16) -0.0033(15) -0.0353(15) -0.0168(18) C29 0.067(2) 0.133(3) 0.063(2) -0.016(2) -0.0380(17) -0.024(2) C30 0.0561(17) 0.125(3) 0.0553(17) -0.0176(18) -0.0166(14) -0.0419(19) C31 0.0470(14) 0.0585(16) 0.0572(15) -0.0021(12) -0.0155(12) -0.0331(13) C32 0.0348(12) 0.0553(16) 0.0607(16) -0.0026(13) -0.0101(11) -0.0190(11) C33 0.0777(19) 0.0370(13) 0.0465(14) -0.0027(11) -0.0208(13) -0.0325(13) C34 0.0347(13) 0.0511(16) 0.091(2) -0.0338(15) -0.0071(14) -0.0074(12) C35 0.0357(12) 0.0674(17) 0.0587(16) -0.0314(14) -0.0010(11) -0.0218(12) C36 0.0540(18) 0.106(3) 0.0633(19) -0.045(2) 0.0057(15) -0.0267(18) C37 0.083(2) 0.135(4) 0.0406(16) -0.027(2) 0.0018(16) -0.043(3) C38 0.078(2) 0.102(3) 0.0435(16) -0.0030(16) -0.0155(15) -0.035(2) C39 0.0501(14) 0.0626(16) 0.0404(13) -0.0088(12) -0.0113(11) -0.0230(13) C40 0.0820(19) 0.0525(15) 0.0382(13) -0.0092(11) -0.0310(13) -0.0205(14) C41 0.0699(18) 0.0605(16) 0.0301(12) -0.0052(11) -0.0081(11) -0.0279(14) C42 0.0690(18) 0.0470(15) 0.082(2) -0.0162(14) -0.0520(17) -0.0129(13) C43 0.0520(16) 0.0506(16) 0.112(3) -0.0165(16) -0.0470(18) -0.0166(13) C44 0.0351(13) 0.0478(14) 0.0824(19) -0.0077(13) -0.0189(13) -0.0148(11) C45 0.084(2) 0.0588(17) 0.0313(12) 0.0050(12) -0.0189(13) -0.0288(15) Dy1 0.02962(6) 0.02246(5) 0.02488(5) -0.00129(3) -0.01106(4) -0.01129(4) N1 0.0362(9) 0.0253(8) 0.0344(9) 0.0011(7) -0.0128(7) -0.0112(7) N2 0.0358(9) 0.0302(9) 0.0314(9) 0.0004(7) -0.0103(7) -0.0155(8) O1 0.0503(9) 0.0397(8) 0.0309(7) 0.0024(6) -0.0186(7) -0.0252(7) O2 0.0343(8) 0.0268(7) 0.0388(8) -0.0031(6) -0.0084(6) -0.0122(6) O3 0.0336(8) 0.0291(7) 0.0367(8) -0.0007(6) -0.0079(6) -0.0112(6) O4 0.0436(8) 0.0333(8) 0.0498(9) -0.0082(7) -0.0214(7) -0.0175(7) O5 0.0456(9) 0.0471(9) 0.0331(8) -0.0032(7) -0.0168(7) -0.0116(8) O6 0.0429(9) 0.0492(9) 0.0340(8) -0.0019(7) -0.0167(7) -0.0177(7) O7 0.0762(17) 0.175(3) 0.120(2) -0.042(2) -0.0258(16) -0.0425(19) _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 C1 N2 1.355(3) . ? C1 C2 1.413(3) . ? C1 C16 1.433(3) . ? C2 C31 1.398(4) . ? C2 C17 1.428(3) . ? C3 N2 1.318(3) . ? C3 C32 1.402(3) . ? C3 H3 0.9300 . ? C4 O3 1.259(2) . ? C4 O2 1.260(2) . ? C4 C19 1.510(3) . ? C5 O5 1.248(3) . ? C5 O6 1.260(3) . ? C5 C10 1.511(3) . ? C5 Dy1 2.784(2) . ? C6 N1 1.320(3) . ? C6 C13 1.392(3) . ? C6 H6 0.9300 . ? C7 O1 1.251(2) . ? C7 O4 1.260(2) . ? C7 C21 1.488(3) . ? C7 Dy1 2.9662(19) . ? C8 C28 1.414(4) . ? C8 C45 1.417(4) . ? C8 C9 1.419(3) . ? C9 C10 1.414(3) . ? C9 C27 1.431(3) . ? C10 C11 1.364(3) . ? C11 C12 1.400(3) . ? C11 H11 0.9300 . ? C12 C45 1.350(4) . ? C12 H12 0.9300 . ? C13 C14 1.359(4) . ? C13 H13 0.9300 . ? C14 C15 1.398(4) . ? C14 H14 0.9300 . ? C15 C16 1.409(3) . ? C15 C33 1.432(3) . ? C16 N1 1.357(3) . ? C17 C33 1.342(4) . ? C17 H17 0.9300 . ? C18 C19 1.371(3) . ? C18 C26 1.405(3) . ? C18 H18 0.9300 . ? C19 C20 1.435(3) . ? C20 C39 1.408(4) . ? C20 C35 1.429(3) . ? C21 C22 1.369(3) . ? C21 C23 1.426(3) . ? C22 C41 1.406(3) . ? C22 H22 0.9300 . ? C23 C24 1.419(3) . ? C23 C25 1.421(3) . ? C24 C44 1.358(3) . ? C24 H24 0.9300 . ? C25 C40 1.406(4) . ? C25 C42 1.421(3) . ? C26 C34 1.346(4) . ? C26 H26 0.9300 . ? C27 C30 1.354(4) . ? C27 H27 0.9300 . ? C28 C29 1.341(5) . ? C28 H28 0.9300 . ? C29 C30 1.409(5) . ? C29 H29 0.9300 . ? C30 H30 0.9300 . ? C31 C32 1.359(4) . ? C31 H31 0.9300 . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C34 C35 1.410(4) . ? C34 H34 0.9300 . ? C35 C36 1.420(4) . ? C36 C37 1.340(5) . ? C36 H36 0.9300 . ? C37 C38 1.396(5) . ? C37 H37 0.9300 . ? C38 C39 1.367(4) . ? C38 H38 0.9300 . ? C39 H39 0.9300 . ? C40 C41 1.348(4) . ? C40 H40 0.9300 . ? C41 H41 0.9300 . ? C42 C43 1.347(4) . ? C42 H42 0.9300 . ? C43 C44 1.404(4) . ? C43 H43 0.9300 . ? C44 H44 0.9300 . ? C45 H45 0.9300 . ? Dy1 O4 2.2820(14) 2_757 ? Dy1 O3 2.3419(14) . ? Dy1 O2 2.3482(14) 2_757 ? Dy1 O5 2.3547(15) . ? Dy1 O1 2.3886(14) . ? Dy1 O6 2.5124(15) . ? Dy1 N1 2.5338(16) . ? Dy1 N2 2.6155(16) . ? Dy1 O4 2.7867(15) . ? O2 Dy1 2.3483(14) 2_757 ? O4 Dy1 2.2820(14) 2_757 ? 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 N2 C1 C2 122.7(2) . . ? N2 C1 C16 118.29(18) . . ? C2 C1 C16 118.99(19) . . ? C31 C2 C1 117.2(2) . . ? C31 C2 C17 123.2(2) . . ? C1 C2 C17 119.6(2) . . ? N2 C3 C32 123.3(2) . . ? N2 C3 H3 118.3 . . ? C32 C3 H3 118.3 . . ? O3 C4 O2 125.37(19) . . ? O3 C4 C19 115.74(17) . . ? O2 C4 C19 118.87(17) . . ? O5 C5 O6 120.9(2) . . ? O5 C5 C10 117.98(19) . . ? O6 C5 C10 121.0(2) . . ? O5 C5 Dy1 57.19(11) . . ? O6 C5 Dy1 64.43(11) . . ? C10 C5 Dy1 165.95(15) . . ? N1 C6 C13 123.4(2) . . ? N1 C6 H6 118.3 . . ? C13 C6 H6 118.3 . . ? O1 C7 O4 120.59(18) . . ? O1 C7 C21 118.84(17) . . ? O4 C7 C21 120.49(18) . . ? O1 C7 Dy1 51.12(10) . . ? O4 C7 Dy1 69.48(11) . . ? C21 C7 Dy1 169.79(13) . . ? C28 C8 C45 120.8(2) . . ? C28 C8 C9 119.9(3) . . ? C45 C8 C9 119.3(2) . . ? C10 C9 C8 118.8(2) . . ? C10 C9 C27 123.8(2) . . ? C8 C9 C27 117.2(2) . . ? C11 C10 C9 119.3(2) . . ? C11 C10 C5 116.7(2) . . ? C9 C10 C5 124.0(2) . . ? C10 C11 C12 122.2(2) . . ? C10 C11 H11 118.9 . . ? C12 C11 H11 118.9 . . ? C45 C12 C11 119.6(2) . . ? C45 C12 H12 120.2 . . ? C11 C12 H12 120.2 . . ? C14 C13 C6 119.2(2) . . ? C14 C13 H13 120.4 . . ? C6 C13 H13 120.4 . . ? C13 C14 C15 119.5(2) . . ? C13 C14 H14 120.2 . . ? C15 C14 H14 120.2 . . ? C14 C15 C16 117.7(2) . . ? C14 C15 C33 122.8(2) . . ? C16 C15 C33 119.5(2) . . ? N1 C16 C15 122.2(2) . . ? N1 C16 C1 118.05(18) . . ? C15 C16 C1 119.75(19) . . ? C33 C17 C2 121.4(2) . . ? C33 C17 H17 119.3 . . ? C2 C17 H17 119.3 . . ? C19 C18 C26 122.0(2) . . ? C19 C18 H18 119.0 . . ? C26 C18 H18 119.0 . . ? C18 C19 C20 119.3(2) . . ? C18 C19 C4 117.1(2) . . ? C20 C19 C4 123.61(19) . . ? C39 C20 C35 118.2(2) . . ? C39 C20 C19 124.0(2) . . ? C35 C20 C19 117.8(2) . . ? C22 C21 C23 120.37(19) . . ? C22 C21 C7 118.10(18) . . ? C23 C21 C7 121.09(17) . . ? C21 C22 C41 120.6(2) . . ? C21 C22 H22 119.7 . . ? C41 C22 H22 119.7 . . ? C24 C23 C25 118.4(2) . . ? C24 C23 C21 123.45(19) . . ? C25 C23 C21 118.17(19) . . ? C44 C24 C23 121.0(2) . . ? C44 C24 H24 119.5 . . ? C23 C24 H24 119.5 . . ? C40 C25 C23 119.1(2) . . ? C40 C25 C42 122.5(2) . . ? C23 C25 C42 118.4(2) . . ? C34 C26 C18 119.8(3) . . ? C34 C26 H26 120.1 . . ? C18 C26 H26 120.1 . . ? C30 C27 C9 120.6(3) . . ? C30 C27 H27 119.7 . . ? C9 C27 H27 119.7 . . ? C29 C28 C8 121.1(3) . . ? C29 C28 H28 119.5 . . ? C8 C28 H28 119.5 . . ? C28 C29 C30 119.9(3) . . ? C28 C29 H29 120.1 . . ? C30 C29 H29 120.1 . . ? C27 C30 C29 121.2(3) . . ? C27 C30 H30 119.4 . . ? C29 C30 H30 119.4 . . ? C32 C31 C2 119.9(2) . . ? C32 C31 H31 120.1 . . ? C2 C31 H31 120.1 . . ? C31 C32 C3 119.0(2) . . ? C31 C32 H32 120.5 . . ? C3 C32 H32 120.5 . . ? C17 C33 C15 120.7(2) . . ? C17 C33 H33 119.7 . . ? C15 C33 H33 119.7 . . ? C26 C34 C35 121.2(2) . . ? C26 C34 H34 119.4 . . ? C35 C34 H34 119.4 . . ? C34 C35 C36 121.5(3) . . ? C34 C35 C20 119.9(2) . . ? C36 C35 C20 118.6(3) . . ? C37 C36 C35 121.4(3) . . ? C37 C36 H36 119.3 . . ? C35 C36 H36 119.3 . . ? C36 C37 C38 120.2(3) . . ? C36 C37 H37 119.9 . . ? C38 C37 H37 119.9 . . ? C39 C38 C37 121.0(3) . . ? C39 C38 H38 119.5 . . ? C37 C38 H38 119.5 . . ? C38 C39 C20 120.7(3) . . ? C38 C39 H39 119.7 . . ? C20 C39 H39 119.7 . . ? C41 C40 C25 121.6(2) . . ? C41 C40 H40 119.2 . . ? C25 C40 H40 119.2 . . ? C40 C41 C22 120.1(2) . . ? C40 C41 H41 120.0 . . ? C22 C41 H41 120.0 . . ? C43 C42 C25 121.5(2) . . ? C43 C42 H42 119.3 . . ? C25 C42 H42 119.3 . . ? C42 C43 C44 120.3(2) . . ? C42 C43 H43 119.9 . . ? C44 C43 H43 119.9 . . ? C24 C44 C43 120.4(3) . . ? C24 C44 H44 119.8 . . ? C43 C44 H44 119.8 . . ? C12 C45 C8 120.7(2) . . ? C12 C45 H45 119.7 . . ? C8 C45 H45 119.7 . . ? O4 Dy1 O3 77.22(5) 2_757 . ? O4 Dy1 O2 74.26(5) 2_757 2_757 ? O3 Dy1 O2 134.16(5) . 2_757 ? O4 Dy1 O5 90.98(6) 2_757 . ? O3 Dy1 O5 134.12(5) . . ? O2 Dy1 O5 81.64(5) 2_757 . ? O4 Dy1 O1 124.37(5) 2_757 . ? O3 Dy1 O1 80.06(5) . . ? O2 Dy1 O1 87.32(5) 2_757 . ? O5 Dy1 O1 138.33(5) . . ? O4 Dy1 O6 77.83(5) 2_757 . ? O3 Dy1 O6 80.99(5) . . ? O2 Dy1 O6 125.68(5) 2_757 . ? O5 Dy1 O6 53.13(5) . . ? O1 Dy1 O6 146.02(5) . . ? O4 Dy1 N1 142.81(5) 2_757 . ? O3 Dy1 N1 77.68(5) . . ? O2 Dy1 N1 141.67(5) 2_757 . ? O5 Dy1 N1 87.17(6) . . ? O1 Dy1 N1 77.07(5) . . ? O6 Dy1 N1 71.48(5) . . ? O4 Dy1 N2 149.81(5) 2_757 . ? O3 Dy1 N2 132.16(5) . . ? O2 Dy1 N2 78.10(5) 2_757 . ? O5 Dy1 N2 73.07(5) . . ? O1 Dy1 N2 65.34(5) . . ? O6 Dy1 N2 109.76(5) . . ? N1 Dy1 N2 63.57(5) . . ? O4 Dy1 C5 86.24(6) 2_757 . ? O3 Dy1 C5 107.79(6) . . ? O2 Dy1 C5 105.32(6) 2_757 . ? O5 Dy1 C5 26.45(6) . . ? O1 Dy1 C5 149.30(5) . . ? O6 Dy1 C5 26.89(6) . . ? N1 Dy1 C5 75.87(6) . . ? N2 Dy1 C5 89.59(6) . . ? O4 Dy1 O4 75.28(5) 2_757 . ? O3 Dy1 O4 67.07(5) . . ? O2 Dy1 O4 71.40(5) 2_757 . ? O5 Dy1 O4 152.13(5) . . ? O1 Dy1 O4 49.10(4) . . ? O6 Dy1 O4 141.85(5) . . ? N1 Dy1 O4 118.44(5) . . ? N2 Dy1 O4 107.11(5) . . ? C5 Dy1 O4 161.46(5) . . ? O4 Dy1 C7 100.33(5) 2_757 . ? O3 Dy1 C7 72.39(5) . . ? O2 Dy1 C7 78.33(5) 2_757 . ? O5 Dy1 C7 153.27(5) . . ? O1 Dy1 C7 24.05(5) . . ? O6 Dy1 C7 152.95(5) . . ? N1 Dy1 C7 97.69(5) . . ? N2 Dy1 C7 85.56(5) . . ? C5 Dy1 C7 173.22(5) . . ? O4 Dy1 C7 25.05(5) . . ? C6 N1 C16 117.93(18) . . ? C6 N1 Dy1 121.44(14) . . ? C16 N1 Dy1 119.46(13) . . ? C3 N2 C1 117.88(18) . . ? C3 N2 Dy1 123.86(14) . . ? C1 N2 Dy1 116.60(13) . . ? C7 O1 Dy1 104.83(12) . . ? C4 O2 Dy1 135.53(13) . 2_757 ? C4 O3 Dy1 140.22(13) . . ? C7 O4 Dy1 169.80(14) . 2_757 ? C7 O4 Dy1 85.47(12) . . ? Dy1 O4 Dy1 104.72(5) 2_757 . ? C5 O5 Dy1 96.36(13) . . ? C5 O6 Dy1 88.68(13) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N2 C1 C2 C31 -0.5(3) . . . . ? C16 C1 C2 C31 179.8(2) . . . . ? N2 C1 C2 C17 179.5(2) . . . . ? C16 C1 C2 C17 -0.1(3) . . . . ? C28 C8 C9 C10 179.3(2) . . . . ? C45 C8 C9 C10 1.3(4) . . . . ? C28 C8 C9 C27 3.1(4) . . . . ? C45 C8 C9 C27 -174.9(2) . . . . ? C8 C9 C10 C11 -3.4(3) . . . . ? C27 C9 C10 C11 172.5(2) . . . . ? C8 C9 C10 C5 173.5(2) . . . . ? C27 C9 C10 C5 -10.6(4) . . . . ? O5 C5 C10 C11 -31.1(3) . . . . ? O6 C5 C10 C11 143.9(2) . . . . ? Dy1 C5 C10 C11 35.0(8) . . . . ? O5 C5 C10 C9 151.9(2) . . . . ? O6 C5 C10 C9 -33.0(3) . . . . ? Dy1 C5 C10 C9 -142.0(6) . . . . ? C9 C10 C11 C12 2.9(4) . . . . ? C5 C10 C11 C12 -174.2(2) . . . . ? C10 C11 C12 C45 -0.2(4) . . . . ? N1 C6 C13 C14 -0.7(4) . . . . ? C6 C13 C14 C15 2.9(4) . . . . ? C13 C14 C15 C16 -2.3(3) . . . . ? C13 C14 C15 C33 177.2(2) . . . . ? C14 C15 C16 N1 -0.6(3) . . . . ? C33 C15 C16 N1 179.81(19) . . . . ? C14 C15 C16 C1 178.05(19) . . . . ? C33 C15 C16 C1 -1.5(3) . . . . ? N2 C1 C16 N1 0.0(3) . . . . ? C2 C1 C16 N1 179.67(18) . . . . ? N2 C1 C16 C15 -178.74(18) . . . . ? C2 C1 C16 C15 0.9(3) . . . . ? C31 C2 C17 C33 180.0(2) . . . . ? C1 C2 C17 C33 -0.1(4) . . . . ? C26 C18 C19 C20 0.3(3) . . . . ? C26 C18 C19 C4 179.6(2) . . . . ? O3 C4 C19 C18 35.5(3) . . . . ? O2 C4 C19 C18 -143.3(2) . . . . ? O3 C4 C19 C20 -145.21(19) . . . . ? O2 C4 C19 C20 36.1(3) . . . . ? C18 C19 C20 C39 179.5(2) . . . . ? C4 C19 C20 C39 0.2(3) . . . . ? C18 C19 C20 C35 -1.5(3) . . . . ? C4 C19 C20 C35 179.17(19) . . . . ? O1 C7 C21 C22 128.2(2) . . . . ? O4 C7 C21 C22 -48.4(3) . . . . ? Dy1 C7 C21 C22 118.5(7) . . . . ? O1 C7 C21 C23 -44.2(3) . . . . ? O4 C7 C21 C23 139.22(19) . . . . ? Dy1 C7 C21 C23 -53.9(8) . . . . ? C23 C21 C22 C41 1.5(3) . . . . ? C7 C21 C22 C41 -171.0(2) . . . . ? C22 C21 C23 C24 179.4(2) . . . . ? C7 C21 C23 C24 -8.4(3) . . . . ? C22 C21 C23 C25 -1.5(3) . . . . ? C7 C21 C23 C25 170.70(18) . . . . ? C25 C23 C24 C44 -3.3(3) . . . . ? C21 C23 C24 C44 175.8(2) . . . . ? C24 C23 C25 C40 180.0(2) . . . . ? C21 C23 C25 C40 0.9(3) . . . . ? C24 C23 C25 C42 2.9(3) . . . . ? C21 C23 C25 C42 -176.2(2) . . . . ? C19 C18 C26 C34 0.7(4) . . . . ? C10 C9 C27 C30 -176.7(3) . . . . ? C8 C9 C27 C30 -0.7(4) . . . . ? C45 C8 C28 C29 175.0(3) . . . . ? C9 C8 C28 C29 -3.0(5) . . . . ? C8 C28 C29 C30 0.4(6) . . . . ? C9 C27 C30 C29 -1.9(5) . . . . ? C28 C29 C30 C27 2.1(6) . . . . ? C1 C2 C31 C32 1.6(4) . . . . ? C17 C2 C31 C32 -178.5(2) . . . . ? C2 C31 C32 C3 -1.2(4) . . . . ? N2 C3 C32 C31 -0.3(4) . . . . ? C2 C17 C33 C15 -0.5(4) . . . . ? C14 C15 C33 C17 -178.2(2) . . . . ? C16 C15 C33 C17 1.3(3) . . . . ? C18 C26 C34 C35 -0.4(4) . . . . ? C26 C34 C35 C36 -180.0(3) . . . . ? C26 C34 C35 C20 -0.9(4) . . . . ? C39 C20 C35 C34 -179.1(2) . . . . ? C19 C20 C35 C34 1.8(3) . . . . ? C39 C20 C35 C36 0.0(3) . . . . ? C19 C20 C35 C36 -179.1(2) . . . . ? C34 C35 C36 C37 178.3(3) . . . . ? C20 C35 C36 C37 -0.8(5) . . . . ? C35 C36 C37 C38 0.9(6) . . . . ? C36 C37 C38 C39 -0.2(6) . . . . ? C37 C38 C39 C20 -0.6(5) . . . . ? C35 C20 C39 C38 0.7(4) . . . . ? C19 C20 C39 C38 179.7(3) . . . . ? C23 C25 C40 C41 -0.2(4) . . . . ? C42 C25 C40 C41 176.8(3) . . . . ? C25 C40 C41 C22 0.1(4) . . . . ? C21 C22 C41 C40 -0.7(4) . . . . ? C40 C25 C42 C43 -177.1(3) . . . . ? C23 C25 C42 C43 -0.2(4) . . . . ? C25 C42 C43 C44 -2.3(4) . . . . ? C23 C24 C44 C43 0.8(4) . . . . ? C42 C43 C44 C24 2.0(4) . . . . ? C11 C12 C45 C8 -2.0(4) . . . . ? C28 C8 C45 C12 -176.6(3) . . . . ? C9 C8 C45 C12 1.4(4) . . . . ? O5 C5 Dy1 O4 -99.82(13) . . . 2_757 ? O6 C5 Dy1 O4 70.29(12) . . . 2_757 ? C10 C5 Dy1 O4 -173.7(7) . . . 2_757 ? O5 C5 Dy1 O3 -175.10(12) . . . . ? O6 C5 Dy1 O3 -5.00(13) . . . . ? C10 C5 Dy1 O3 111.0(6) . . . . ? O5 C5 Dy1 O2 -27.27(14) . . . 2_757 ? O6 C5 Dy1 O2 142.84(12) . . . 2_757 ? C10 C5 Dy1 O2 -101.2(7) . . . 2_757 ? O6 C5 Dy1 O5 170.1(2) . . . . ? C10 C5 Dy1 O5 -73.9(6) . . . . ? O5 C5 Dy1 O1 84.23(17) . . . . ? O6 C5 Dy1 O1 -105.66(15) . . . . ? C10 C5 Dy1 O1 10.3(7) . . . . ? O5 C5 Dy1 O6 -170.1(2) . . . . ? C10 C5 Dy1 O6 116.0(7) . . . . ? O5 C5 Dy1 N1 113.06(13) . . . . ? O6 C5 Dy1 N1 -76.83(12) . . . . ? C10 C5 Dy1 N1 39.1(6) . . . . ? O5 C5 Dy1 N2 50.26(13) . . . . ? O6 C5 Dy1 N2 -139.63(12) . . . . ? C10 C5 Dy1 N2 -23.7(7) . . . . ? O5 C5 Dy1 O4 -104.4(2) . . . . ? O6 C5 Dy1 O4 65.7(2) . . . . ? C10 C5 Dy1 O4 -178.3(6) . . . . ? O5 C5 Dy1 C7 94.5(5) . . . . ? O6 C5 Dy1 C7 -95.4(5) . . . . ? C10 C5 Dy1 C7 20.6(10) . . . . ? O1 C7 Dy1 O4 -178.38(12) . . . 2_757 ? O4 C7 Dy1 O4 0.46(14) . . . 2_757 ? C21 C7 Dy1 O4 -167.5(8) . . . 2_757 ? O1 C7 Dy1 O3 -105.47(13) . . . . ? O4 C7 Dy1 O3 73.37(11) . . . . ? C21 C7 Dy1 O3 -94.6(8) . . . . ? O1 C7 Dy1 O2 110.24(13) . . . 2_757 ? O4 C7 Dy1 O2 -70.92(11) . . . 2_757 ? C21 C7 Dy1 O2 121.1(8) . . . 2_757 ? O1 C7 Dy1 O5 68.00(18) . . . . ? O4 C7 Dy1 O5 -113.15(14) . . . . ? C21 C7 Dy1 O5 78.9(8) . . . . ? O4 C7 Dy1 O1 178.8(2) . . . . ? C21 C7 Dy1 O1 10.9(7) . . . . ? O1 C7 Dy1 O6 -94.93(16) . . . . ? O4 C7 Dy1 O6 83.92(16) . . . . ? C21 C7 Dy1 O6 -84.0(8) . . . . ? O1 C7 Dy1 N1 -31.06(13) . . . . ? O4 C7 Dy1 N1 147.79(11) . . . . ? C21 C7 Dy1 N1 -20.2(8) . . . . ? O1 C7 Dy1 N2 31.50(13) . . . . ? O4 C7 Dy1 N2 -149.66(12) . . . . ? C21 C7 Dy1 N2 42.4(8) . . . . ? O1 C7 Dy1 C5 -12.9(5) . . . . ? O4 C7 Dy1 C5 165.9(4) . . . . ? C21 C7 Dy1 C5 -2.0(11) . . . . ? O1 C7 Dy1 O4 -178.8(2) . . . . ? C21 C7 Dy1 O4 -168.0(8) . . . . ? C13 C6 N1 C16 -2.2(3) . . . . ? C13 C6 N1 Dy1 165.34(18) . . . . ? C15 C16 N1 C6 2.9(3) . . . . ? C1 C16 N1 C6 -175.84(19) . . . . ? C15 C16 N1 Dy1 -164.97(15) . . . . ? C1 C16 N1 Dy1 16.3(2) . . . . ? O4 Dy1 N1 C6 15.6(2) 2_757 . . . ? O3 Dy1 N1 C6 -32.96(17) . . . . ? O2 Dy1 N1 C6 176.15(15) 2_757 . . . ? O5 Dy1 N1 C6 103.44(17) . . . . ? O1 Dy1 N1 C6 -115.42(17) . . . . ? O6 Dy1 N1 C6 51.54(17) . . . . ? N2 Dy1 N1 C6 175.92(19) . . . . ? C5 Dy1 N1 C6 79.21(17) . . . . ? O4 Dy1 N1 C6 -88.08(17) . . . . ? C7 Dy1 N1 C6 -102.96(17) . . . . ? O4 Dy1 N1 C16 -177.04(13) 2_757 . . . ? O3 Dy1 N1 C16 134.44(15) . . . . ? O2 Dy1 N1 C16 -16.45(19) 2_757 . . . ? O5 Dy1 N1 C16 -89.16(15) . . . . ? O1 Dy1 N1 C16 51.98(14) . . . . ? O6 Dy1 N1 C16 -141.06(15) . . . . ? N2 Dy1 N1 C16 -16.68(13) . . . . ? C5 Dy1 N1 C16 -113.39(15) . . . . ? O4 Dy1 N1 C16 79.32(15) . . . . ? C7 Dy1 N1 C16 64.44(15) . . . . ? C32 C3 N2 C1 1.3(3) . . . . ? C32 C3 N2 Dy1 -163.42(18) . . . . ? C2 C1 N2 C3 -0.9(3) . . . . ? C16 C1 N2 C3 178.76(19) . . . . ? C2 C1 N2 Dy1 164.98(15) . . . . ? C16 C1 N2 Dy1 -15.4(2) . . . . ? O4 Dy1 N2 C3 -22.7(2) 2_757 . . . ? O3 Dy1 N2 C3 141.62(16) . . . . ? O2 Dy1 N2 C3 1.30(17) 2_757 . . . ? O5 Dy1 N2 C3 -83.47(18) . . . . ? O1 Dy1 N2 C3 93.84(18) . . . . ? O6 Dy1 N2 C3 -122.59(17) . . . . ? N1 Dy1 N2 C3 -178.84(19) . . . . ? C5 Dy1 N2 C3 -104.45(18) . . . . ? O4 Dy1 N2 C3 67.36(18) . . . . ? C7 Dy1 N2 C3 80.29(18) . . . . ? O4 Dy1 N2 C1 172.40(12) 2_757 . . . ? O3 Dy1 N2 C1 -23.32(17) . . . . ? O2 Dy1 N2 C1 -163.63(14) 2_757 . . . ? O5 Dy1 N2 C1 111.60(14) . . . . ? O1 Dy1 N2 C1 -71.10(14) . . . . ? O6 Dy1 N2 C1 72.47(14) . . . . ? N1 Dy1 N2 C1 16.22(13) . . . . ? C5 Dy1 N2 C1 90.61(14) . . . . ? O4 Dy1 N2 C1 -97.58(14) . . . . ? C7 Dy1 N2 C1 -84.65(14) . . . . ? O4 C7 O1 Dy1 -1.3(2) . . . . ? C21 C7 O1 Dy1 -177.81(14) . . . . ? O4 Dy1 O1 C7 1.93(15) 2_757 . . . ? O3 Dy1 O1 C7 68.84(13) . . . . ? O2 Dy1 O1 C7 -66.91(13) 2_757 . . . ? O5 Dy1 O1 C7 -141.16(12) . . . . ? O6 Dy1 O1 C7 125.85(13) . . . . ? N1 Dy1 O1 C7 148.36(13) . . . . ? N2 Dy1 O1 C7 -145.03(14) . . . . ? C5 Dy1 O1 C7 177.03(12) . . . . ? O4 Dy1 O1 C7 0.65(11) . . . . ? O3 C4 O2 Dy1 29.2(3) . . . 2_757 ? C19 C4 O2 Dy1 -152.25(14) . . . 2_757 ? O2 C4 O3 Dy1 -11.8(3) . . . . ? C19 C4 O3 Dy1 169.61(14) . . . . ? O4 Dy1 O3 C4 41.0(2) 2_757 . . . ? O2 Dy1 O3 C4 -11.5(2) 2_757 . . . ? O5 Dy1 O3 C4 119.7(2) . . . . ? O1 Dy1 O3 C4 -87.9(2) . . . . ? O6 Dy1 O3 C4 120.5(2) . . . . ? N1 Dy1 O3 C4 -166.6(2) . . . . ? N2 Dy1 O3 C4 -131.0(2) . . . . ? C5 Dy1 O3 C4 122.8(2) . . . . ? O4 Dy1 O3 C4 -38.2(2) . . . . ? C7 Dy1 O3 C4 -64.3(2) . . . . ? O1 C7 O4 Dy1 -176.4(7) . . . 2_757 ? C21 C7 O4 Dy1 0.1(9) . . . 2_757 ? Dy1 C7 O4 Dy1 -177.4(8) . . . 2_757 ? O1 C7 O4 Dy1 1.04(18) . . . . ? C21 C7 O4 Dy1 177.54(17) . . . . ? O4 Dy1 O4 C7 -179.53(14) 2_757 . . . ? O3 Dy1 O4 C7 -97.42(12) . . . . ? O2 Dy1 O4 C7 102.45(12) 2_757 . . . ? O5 Dy1 O4 C7 117.80(14) . . . . ? O1 Dy1 O4 C7 -0.62(11) . . . . ? O6 Dy1 O4 C7 -132.94(12) . . . . ? N1 Dy1 O4 C7 -36.93(13) . . . . ? N2 Dy1 O4 C7 31.80(12) . . . . ? C5 Dy1 O4 C7 -174.82(16) . . . . ? O4 Dy1 O4 Dy1 0.0 2_757 . . 2_757 ? O3 Dy1 O4 Dy1 82.11(6) . . . 2_757 ? O2 Dy1 O4 Dy1 -78.02(6) 2_757 . . 2_757 ? O5 Dy1 O4 Dy1 -62.67(12) . . . 2_757 ? O1 Dy1 O4 Dy1 178.91(9) . . . 2_757 ? O6 Dy1 O4 Dy1 46.59(10) . . . 2_757 ? N1 Dy1 O4 Dy1 142.60(6) . . . 2_757 ? N2 Dy1 O4 Dy1 -148.67(6) . . . 2_757 ? C5 Dy1 O4 Dy1 4.7(2) . . . 2_757 ? C7 Dy1 O4 Dy1 179.53(14) . . . 2_757 ? O6 C5 O5 Dy1 -10.4(2) . . . . ? C10 C5 O5 Dy1 164.68(16) . . . . ? O4 Dy1 O5 C5 79.54(13) 2_757 . . . ? O3 Dy1 O5 C5 6.50(16) . . . . ? O2 Dy1 O5 C5 153.47(13) 2_757 . . . ? O1 Dy1 O5 C5 -130.18(13) . . . . ? O6 Dy1 O5 C5 5.57(12) . . . . ? N1 Dy1 O5 C5 -63.29(13) . . . . ? N2 Dy1 O5 C5 -126.50(14) . . . . ? O4 Dy1 O5 C5 138.78(13) . . . . ? C7 Dy1 O5 C5 -164.82(12) . . . . ? O5 C5 O6 Dy1 9.7(2) . . . . ? C10 C5 O6 Dy1 -165.25(18) . . . . ? O4 Dy1 O6 C5 -106.06(13) 2_757 . . . ? O3 Dy1 O6 C5 175.18(13) . . . . ? O2 Dy1 O6 C5 -45.83(14) 2_757 . . . ? O5 Dy1 O6 C5 -5.49(12) . . . . ? O1 Dy1 O6 C5 118.42(13) . . . . ? N1 Dy1 O6 C5 95.24(13) . . . . ? N2 Dy1 O6 C5 43.49(13) . . . . ? O4 Dy1 O6 C5 -152.01(11) . . . . ? C7 Dy1 O6 C5 165.01(12) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.591 _refine_diff_density_min -0.360 _refine_diff_density_rms 0.050 # Attachment '1a.cif' data_1a _database_code_depnum_ccdc_archive 'CCDC 845007' #TrackingRef '1a.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C90 H62 Dy2 N4 O13' _chemical_formula_weight 1732.44 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' O O 0.0106 0.0060 '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' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.4295(10) _cell_length_b 12.4759(10) _cell_length_c 14.3003(12) _cell_angle_alpha 73.492(5) _cell_angle_beta 66.206(5) _cell_angle_gamma 63.907(5) _cell_volume 1806.8(3) _cell_formula_units_Z 1 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 6886 _cell_measurement_theta_min 2.56 _cell_measurement_theta_max 23.58 _exptl_crystal_description Block _exptl_crystal_colour yellowish _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.35 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.592 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 866 _exptl_absorpt_coefficient_mu 2.124 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.4838 _exptl_absorpt_correction_T_max 0.5683 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26028 _diffrn_reflns_av_R_equivalents 0.0511 _diffrn_reflns_av_sigmaI/netI 0.0425 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 1.57 _diffrn_reflns_theta_max 25.00 _reflns_number_total 6355 _reflns_number_gt 5691 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0301P)^2^+0.0000P] 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 refu _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6355 _refine_ls_number_parameters 504 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0331 _refine_ls_R_factor_gt 0.0275 _refine_ls_wR_factor_ref 0.0658 _refine_ls_wR_factor_gt 0.0637 _refine_ls_goodness_of_fit_ref 1.094 _refine_ls_restrained_S_all 1.097 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 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 C1 C 0.2671(3) 0.6556(3) 0.5972(3) 0.0295(8) Uani 1 1 d . . . C2 C 0.4863(5) 0.4182(4) 0.1240(3) 0.0544(12) Uani 1 1 d . . . H2 H 0.5511 0.4215 0.0623 0.065 Uiso 1 1 calc R . . C3 C 0.1515(4) 0.6176(4) 0.8322(3) 0.0487(11) Uani 1 1 d . . . H3 H 0.2233 0.5557 0.8005 0.058 Uiso 1 1 calc R . . C4 C 0.1510(3) 0.7457(3) 0.6611(3) 0.0316(9) Uani 1 1 d . . . C5 C 0.0938(4) 0.3783(4) 0.4020(4) 0.0537(12) Uani 1 1 d . . . H5 H 0.0289 0.3729 0.4631 0.064 Uiso 1 1 calc R . . C6 C 0.0993(4) 0.7251(4) 0.7714(3) 0.0364(9) Uani 1 1 d . . . C7 C 0.7070(4) 0.2366(5) 0.8853(3) 0.0532(12) Uani 1 1 d . . . H7 H 0.7110 0.2829 0.8212 0.064 Uiso 1 1 calc R . . C8 C 0.1815(5) 0.3735(4) 0.2209(4) 0.0574(13) Uani 1 1 d . . . H8 H 0.1764 0.3658 0.1602 0.069 Uiso 1 1 calc R . . C9 C 0.4975(5) 0.0912(4) 1.0978(3) 0.0586(13) Uani 1 1 d . . . H9 H 0.4964 0.0446 1.1616 0.070 Uiso 1 1 calc R . . C10 C -0.0650(4) 0.9276(4) 0.7638(4) 0.0584(13) Uani 1 1 d . . . H10 H -0.1362 0.9884 0.7974 0.070 Uiso 1 1 calc R . . C11 C 0.4239(3) 0.4172(3) 0.4035(3) 0.0283(8) Uani 1 1 d . . . C12 C 0.3987(5) 0.1250(4) 1.0644(3) 0.0545(12) Uani 1 1 d . . . H12 H 0.3292 0.1038 1.1055 0.065 Uiso 1 1 calc R . . C13 C 0.0905(5) 0.3628(4) 0.3101(5) 0.0616(14) Uani 1 1 d . . . H13 H 0.0249 0.3450 0.3109 0.074 Uiso 1 1 calc R . . C14 C -0.0621(5) 0.8021(6) 0.9311(4) 0.0751(17) Uani 1 1 d . . . H14 H -0.1325 0.8634 0.9649 0.090 Uiso 1 1 calc R . . C15 C 0.4983(4) 0.2872(3) 0.7984(3) 0.0330(9) Uani 1 1 d . . . C16 C 0.7984(5) 0.2087(6) 0.9267(4) 0.0724(16) Uani 1 1 d . . . H16 H 0.8627 0.2387 0.8911 0.087 Uiso 1 1 calc R . . C17 C 0.5016(4) 0.2254(3) 0.9044(3) 0.0338(9) Uani 1 1 d . . . C18 C 0.7029(5) 0.0957(5) 1.0748(4) 0.0675(15) Uani 1 1 d . . . H18 H 0.7032 0.0472 1.1376 0.081 Uiso 1 1 calc R . . C19 C 0.6048(4) 0.1953(4) 0.9397(3) 0.0387(10) Uani 1 1 d . . . C20 C 0.0976(5) 0.6037(6) 0.9367(4) 0.0718(16) Uani 1 1 d . . . H20 H 0.1327 0.5319 0.9752 0.086 Uiso 1 1 calc R . . C21 C 0.7987(5) 0.1356(6) 1.0219(4) 0.0813(18) Uani 1 1 d . . . H21 H 0.8638 0.1152 1.0478 0.098 Uiso 1 1 calc R . . C22 C -0.0100(6) 0.6961(7) 0.9872(4) 0.088(2) Uani 1 1 d . . . H22 H -0.0457 0.6853 1.0585 0.105 Uiso 1 1 calc R . . C23 C 0.3061(4) 0.1720(3) 0.6645(3) 0.0291(8) Uani 1 1 d . . . C24 C 0.2147(4) 0.1273(4) 0.6759(3) 0.0385(10) Uani 1 1 d . . . C25 C 0.6425(4) 0.0643(3) 0.6148(3) 0.0402(10) Uani 1 1 d . . . H25 H 0.7014 0.0940 0.6103 0.048 Uiso 1 1 calc R . . C26 C 0.6844(4) -0.0572(4) 0.6042(3) 0.0489(11) Uani 1 1 d . . . H26 H 0.7691 -0.1066 0.5937 0.059 Uiso 1 1 calc R . . C27 C 0.5999(4) -0.1021(4) 0.6097(3) 0.0468(11) Uani 1 1 d . . . H27 H 0.6270 -0.1817 0.6000 0.056 Uiso 1 1 calc R . . C28 C 0.4717(4) -0.0277(3) 0.6300(3) 0.0372(9) Uani 1 1 d . . . C29 C 0.3764(5) -0.0701(4) 0.6410(3) 0.0482(11) Uani 1 1 d . . . H29 H 0.3991 -0.1493 0.6328 0.058 Uiso 1 1 calc R . . C30 C 0.2548(5) 0.0042(4) 0.6630(3) 0.0482(11) Uani 1 1 d . . . H30 H 0.1944 -0.0250 0.6701 0.058 Uiso 1 1 calc R . . C31 C 0.0889(4) 0.2060(4) 0.6983(3) 0.0478(11) Uani 1 1 d . . . H31 H 0.0262 0.1806 0.7040 0.057 Uiso 1 1 calc R . . C32 C 0.0589(4) 0.3208(4) 0.7117(3) 0.0485(11) Uani 1 1 d . . . H32 H -0.0250 0.3740 0.7288 0.058 Uiso 1 1 calc R . . C33 C 0.1548(4) 0.3578(4) 0.6996(3) 0.0394(10) Uani 1 1 d . . . H33 H 0.1326 0.4365 0.7090 0.047 Uiso 1 1 calc R . . C34 C 0.4361(4) 0.0935(3) 0.6407(3) 0.0302(8) Uani 1 1 d . . . C35 C 0.4941(4) 0.4298(4) 0.2154(3) 0.0405(10) Uani 1 1 d . . . H35 H 0.5635 0.4423 0.2136 0.049 Uiso 1 1 calc R . . C36 C 0.4008(3) 0.4230(3) 0.3075(3) 0.0270(8) Uani 1 1 d . . . C37 C 0.2919(4) 0.4080(3) 0.3105(3) 0.0315(9) Uani 1 1 d . . . C38 C 0.1915(4) 0.4012(4) 0.4030(3) 0.0391(10) Uani 1 1 d . . . H38 H 0.1920 0.4122 0.4644 0.047 Uiso 1 1 calc R . . C39 C 0.2856(4) 0.3964(3) 0.2172(3) 0.0402(10) Uani 1 1 d . . . C40 C 0.3853(5) 0.4022(4) 0.1250(3) 0.0539(12) Uani 1 1 d . . . H40 H 0.3813 0.3950 0.0636 0.065 Uiso 1 1 calc R . . C41 C 0.4018(4) 0.1923(4) 0.9671(3) 0.0458(11) Uani 1 1 d . . . H41 H 0.3333 0.2152 0.9446 0.055 Uiso 1 1 calc R . . C42 C 0.6024(4) 0.1250(4) 1.0382(3) 0.0453(11) Uani 1 1 d . . . C43 C -0.0100(4) 0.8197(4) 0.8218(3) 0.0480(11) Uani 1 1 d . . . C44 C -0.0160(4) 0.9440(4) 0.6599(4) 0.0557(12) Uani 1 1 d . . . H44 H -0.0540 1.0151 0.6223 0.067 Uiso 1 1 calc R . . C45 C 0.0931(4) 0.8529(4) 0.6090(3) 0.0423(10) Uani 1 1 d . . . H45 H 0.1271 0.8657 0.5376 0.051 Uiso 1 1 calc R . . Dy1 Dy 0.462527(16) 0.364224(15) 0.605973(12) 0.02403(7) Uani 1 1 d . . . H1M H 0.799(3) 0.241(3) 0.640(2) 0.046(14) Uiso 1 1 d D . . H2M H 0.816(3) 0.324(2) 0.569(2) 0.022(11) Uiso 1 1 d D . . N1 N 0.5232(3) 0.1388(3) 0.6307(2) 0.0329(7) Uani 1 1 d . . . N2 N 0.2764(3) 0.2867(3) 0.6754(2) 0.0298(7) Uani 1 1 d . . . O1 O 0.4642(2) 0.4903(2) 0.4106(2) 0.0366(6) Uani 1 1 d . . . O2 O 0.4071(2) 0.3356(2) 0.47573(19) 0.0360(6) Uani 1 1 d . . . O3 O 0.3373(2) 0.6984(2) 0.51893(18) 0.0331(6) Uani 1 1 d . . . O4 O 0.2849(2) 0.5452(2) 0.62382(19) 0.0338(6) Uani 1 1 d . . . O5 O 0.3918(3) 0.3519(3) 0.78674(19) 0.0417(7) Uani 1 1 d . . . O6 O 0.5980(3) 0.2685(3) 0.72108(19) 0.0395(7) Uani 1 1 d . . . O7 O 0.8474(5) 0.2765(7) 0.6109(5) 0.0447(15) Uani 0.50 1 d PD . . 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 C1 0.027(2) 0.032(2) 0.034(2) -0.0062(17) -0.0130(17) -0.0099(17) C2 0.069(3) 0.060(3) 0.032(2) -0.006(2) -0.011(2) -0.026(3) C3 0.051(3) 0.060(3) 0.038(2) -0.007(2) -0.013(2) -0.023(2) C4 0.0221(19) 0.030(2) 0.045(2) -0.0090(18) -0.0102(17) -0.0096(17) C5 0.030(2) 0.049(3) 0.081(3) -0.006(3) -0.019(2) -0.015(2) C6 0.028(2) 0.043(2) 0.043(2) -0.012(2) -0.0087(18) -0.0151(19) C7 0.047(3) 0.079(4) 0.041(2) -0.008(2) -0.017(2) -0.027(3) C8 0.067(3) 0.045(3) 0.084(4) -0.019(3) -0.051(3) -0.010(3) C9 0.079(4) 0.058(3) 0.036(2) 0.006(2) -0.021(3) -0.028(3) C10 0.032(3) 0.051(3) 0.087(4) -0.033(3) -0.009(3) -0.006(2) C11 0.0234(19) 0.027(2) 0.035(2) -0.0099(17) -0.0090(16) -0.0067(16) C12 0.062(3) 0.065(3) 0.036(2) 0.005(2) -0.008(2) -0.037(3) C13 0.050(3) 0.046(3) 0.111(5) -0.013(3) -0.049(3) -0.014(2) C14 0.054(3) 0.111(5) 0.061(3) -0.046(4) 0.007(3) -0.033(3) C15 0.045(2) 0.032(2) 0.027(2) -0.0044(17) -0.0119(18) -0.017(2) C16 0.049(3) 0.123(5) 0.053(3) -0.017(3) -0.016(3) -0.036(3) C17 0.041(2) 0.036(2) 0.0246(19) -0.0047(17) -0.0108(17) -0.0146(19) C18 0.076(4) 0.081(4) 0.043(3) 0.001(3) -0.040(3) -0.015(3) C19 0.045(2) 0.040(2) 0.027(2) -0.0089(18) -0.0104(18) -0.011(2) C20 0.075(4) 0.093(4) 0.037(3) 0.003(3) -0.015(3) -0.032(3) C21 0.061(4) 0.131(6) 0.061(4) -0.013(4) -0.035(3) -0.029(4) C22 0.079(4) 0.133(6) 0.042(3) -0.024(4) 0.004(3) -0.045(4) C23 0.036(2) 0.031(2) 0.0244(19) 0.0016(16) -0.0104(16) -0.0186(18) C24 0.047(3) 0.045(3) 0.034(2) 0.0013(19) -0.0159(19) -0.028(2) C25 0.038(2) 0.028(2) 0.045(2) 0.0041(18) -0.0150(19) -0.0084(19) C26 0.042(3) 0.033(2) 0.051(3) 0.003(2) -0.015(2) -0.001(2) C27 0.061(3) 0.021(2) 0.051(3) 0.0007(19) -0.019(2) -0.010(2) C28 0.056(3) 0.029(2) 0.027(2) 0.0013(17) -0.0142(19) -0.018(2) C29 0.078(4) 0.032(2) 0.047(3) 0.002(2) -0.022(2) -0.034(3) C30 0.067(3) 0.048(3) 0.049(3) -0.002(2) -0.021(2) -0.039(3) C31 0.046(3) 0.059(3) 0.050(3) 0.001(2) -0.019(2) -0.032(2) C32 0.031(2) 0.051(3) 0.056(3) -0.003(2) -0.006(2) -0.018(2) C33 0.036(2) 0.035(2) 0.041(2) -0.0028(19) -0.0071(19) -0.0148(19) C34 0.042(2) 0.027(2) 0.0261(19) 0.0042(16) -0.0139(17) -0.0182(18) C35 0.044(2) 0.047(3) 0.036(2) -0.0036(19) -0.0123(19) -0.023(2) C36 0.033(2) 0.0236(19) 0.0302(19) -0.0053(15) -0.0153(16) -0.0103(16) C37 0.037(2) 0.024(2) 0.038(2) -0.0058(17) -0.0187(18) -0.0085(17) C38 0.033(2) 0.036(2) 0.047(2) -0.0105(19) -0.0149(19) -0.0066(18) C39 0.050(3) 0.030(2) 0.050(3) -0.0099(19) -0.029(2) -0.009(2) C40 0.083(4) 0.050(3) 0.041(3) -0.012(2) -0.033(3) -0.020(3) C41 0.052(3) 0.054(3) 0.039(2) -0.001(2) -0.018(2) -0.026(2) C42 0.053(3) 0.046(3) 0.032(2) -0.0045(19) -0.020(2) -0.008(2) C43 0.031(2) 0.064(3) 0.054(3) -0.028(2) -0.002(2) -0.020(2) C44 0.039(3) 0.038(3) 0.079(4) -0.008(2) -0.021(3) -0.003(2) C45 0.034(2) 0.035(2) 0.054(3) -0.005(2) -0.013(2) -0.0119(19) Dy1 0.02864(11) 0.02246(10) 0.02427(10) -0.00101(7) -0.01093(7) -0.01137(7) N1 0.0360(19) 0.0254(17) 0.0340(17) 0.0010(14) -0.0129(15) -0.0100(15) N2 0.0332(18) 0.0284(17) 0.0286(16) -0.0009(14) -0.0097(14) -0.0140(15) O1 0.0419(16) 0.0313(15) 0.0491(16) -0.0084(13) -0.0199(13) -0.0175(13) O2 0.0479(17) 0.0410(16) 0.0303(14) 0.0034(13) -0.0184(12) -0.0257(14) O3 0.0323(14) 0.0284(14) 0.0312(14) -0.0006(11) -0.0051(12) -0.0116(12) O4 0.0345(15) 0.0267(15) 0.0388(15) -0.0024(12) -0.0096(12) -0.0131(12) O5 0.0394(17) 0.0486(18) 0.0321(15) -0.0021(13) -0.0144(13) -0.0114(14) O6 0.0419(16) 0.0504(18) 0.0291(14) -0.0032(13) -0.0138(13) -0.0186(14) O7 0.019(3) 0.076(5) 0.042(4) -0.004(3) -0.010(3) -0.022(3) _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 C1 O3 1.257(4) . ? C1 O4 1.263(4) . ? C1 C4 1.508(5) . ? C2 C40 1.350(6) . ? C2 C35 1.401(6) . ? C2 H2 0.9300 . ? C3 C20 1.364(6) . ? C3 C6 1.415(6) . ? C3 H3 0.9300 . ? C4 C45 1.372(5) . ? C4 C6 1.436(5) . ? C5 C38 1.370(5) . ? C5 C13 1.401(7) . ? C5 H5 0.9300 . ? C6 C43 1.429(6) . ? C7 C16 1.355(6) . ? C7 C19 1.427(6) . ? C7 H7 0.9300 . ? C8 C13 1.340(7) . ? C8 C39 1.422(6) . ? C8 H8 0.9300 . ? C9 C12 1.348(7) . ? C9 C42 1.410(6) . ? C9 H9 0.9300 . ? C10 C44 1.351(7) . ? C10 C43 1.407(7) . ? C10 H10 0.9300 . ? C11 O2 1.249(4) . ? C11 O1 1.261(4) . ? C11 C36 1.489(5) . ? C11 Dy1 2.967(4) . ? C12 C41 1.401(6) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 C22 1.369(8) . ? C14 C43 1.423(7) . ? C14 H14 0.9300 . ? C15 O5 1.262(5) . ? C15 O6 1.265(4) . ? C15 C17 1.501(5) . ? C15 Dy1 2.793(4) . ? C16 C21 1.407(8) . ? C16 H16 0.9300 . ? C17 C41 1.362(5) . ? C17 C19 1.426(5) . ? C18 C21 1.348(7) . ? C18 C42 1.410(6) . ? C18 H18 0.9300 . ? C19 C42 1.428(6) . ? C20 C22 1.406(8) . ? C20 H20 0.9300 . ? C21 H21 0.9300 . ? C22 H22 0.9300 . ? C23 N2 1.350(4) . ? C23 C24 1.409(5) . ? C23 C34 1.429(5) . ? C24 C31 1.392(6) . ? C24 C30 1.434(6) . ? C25 N1 1.323(5) . ? C25 C26 1.401(6) . ? C25 H25 0.9300 . ? C26 C27 1.360(6) . ? C26 H26 0.9300 . ? C27 C28 1.401(6) . ? C27 H27 0.9300 . ? C28 C34 1.413(5) . ? C28 C29 1.436(6) . ? C29 C30 1.338(6) . ? C29 H29 0.9300 . ? C30 H30 0.9300 . ? C31 C32 1.363(6) . ? C31 H31 0.9300 . ? C32 C33 1.392(5) . ? C32 H32 0.9300 . ? C33 N2 1.328(5) . ? C33 H33 0.9300 . ? C34 N1 1.371(4) . ? C35 C36 1.370(5) . ? C35 H35 0.9300 . ? C36 C37 1.429(5) . ? C37 C39 1.417(5) . ? C37 C38 1.418(5) . ? C38 H38 0.9300 . ? C39 C40 1.409(6) . ? C40 H40 0.9300 . ? C41 H41 0.9300 . ? C44 C45 1.407(6) . ? C44 H44 0.9300 . ? C45 H45 0.9300 . ? Dy1 O1 2.283(2) 2_666 ? Dy1 O3 2.343(2) 2_666 ? Dy1 O4 2.350(2) . ? Dy1 O5 2.353(3) . ? Dy1 O2 2.388(2) . ? Dy1 O6 2.514(3) . ? Dy1 N1 2.527(3) . ? Dy1 N2 2.616(3) . ? Dy1 O1 2.786(3) . ? O1 Dy1 2.283(2) 2_666 ? O3 Dy1 2.343(2) 2_666 ? O7 H1M 0.811(10) . ? O7 H2M 0.805(10) . ? 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 O3 C1 O4 125.2(3) . . ? O3 C1 C4 116.1(3) . . ? O4 C1 C4 118.6(3) . . ? C40 C2 C35 120.4(4) . . ? C40 C2 H2 119.8 . . ? C35 C2 H2 119.8 . . ? C20 C3 C6 120.8(5) . . ? C20 C3 H3 119.6 . . ? C6 C3 H3 119.6 . . ? C45 C4 C6 119.3(4) . . ? C45 C4 C1 116.8(3) . . ? C6 C4 C1 123.9(3) . . ? C38 C5 C13 120.8(5) . . ? C38 C5 H5 119.6 . . ? C13 C5 H5 119.6 . . ? C3 C6 C43 118.7(4) . . ? C3 C6 C4 123.7(4) . . ? C43 C6 C4 117.6(4) . . ? C16 C7 C19 120.4(5) . . ? C16 C7 H7 119.8 . . ? C19 C7 H7 119.8 . . ? C13 C8 C39 121.3(4) . . ? C13 C8 H8 119.3 . . ? C39 C8 H8 119.3 . . ? C12 C9 C42 121.3(4) . . ? C12 C9 H9 119.3 . . ? C42 C9 H9 119.3 . . ? C44 C10 C43 121.0(4) . . ? C44 C10 H10 119.5 . . ? C43 C10 H10 119.5 . . ? O2 C11 O1 120.4(3) . . ? O2 C11 C36 118.8(3) . . ? O1 C11 C36 120.7(3) . . ? O2 C11 Dy1 51.01(17) . . ? O1 C11 Dy1 69.4(2) . . ? C36 C11 Dy1 169.7(2) . . ? C9 C12 C41 119.4(4) . . ? C9 C12 H12 120.3 . . ? C41 C12 H12 120.3 . . ? C8 C13 C5 120.4(4) . . ? C8 C13 H13 119.8 . . ? C5 C13 H13 119.8 . . ? C22 C14 C43 120.9(5) . . ? C22 C14 H14 119.5 . . ? C43 C14 H14 119.5 . . ? O5 C15 O6 120.3(3) . . ? O5 C15 C17 118.1(3) . . ? O6 C15 C17 121.4(4) . . ? O5 C15 Dy1 56.84(18) . . ? O6 C15 Dy1 64.17(19) . . ? C17 C15 Dy1 165.7(3) . . ? C7 C16 C21 121.9(5) . . ? C7 C16 H16 119.1 . . ? C21 C16 H16 119.1 . . ? C41 C17 C19 119.4(4) . . ? C41 C17 C15 116.9(4) . . ? C19 C17 C15 123.6(3) . . ? C21 C18 C42 122.2(5) . . ? C21 C18 H18 118.9 . . ? C42 C18 H18 118.9 . . ? C17 C19 C7 124.0(4) . . ? C17 C19 C42 118.1(4) . . ? C7 C19 C42 117.8(4) . . ? C3 C20 C22 121.0(6) . . ? C3 C20 H20 119.5 . . ? C22 C20 H20 119.5 . . ? C18 C21 C16 118.8(5) . . ? C18 C21 H21 120.6 . . ? C16 C21 H21 120.6 . . ? C14 C22 C20 119.9(5) . . ? C14 C22 H22 120.1 . . ? C20 C22 H22 120.1 . . ? N2 C23 C24 122.8(4) . . ? N2 C23 C34 118.0(3) . . ? C24 C23 C34 119.2(3) . . ? C31 C24 C23 118.0(4) . . ? C31 C24 C30 122.9(4) . . ? C23 C24 C30 119.1(4) . . ? N1 C25 C26 123.2(4) . . ? N1 C25 H25 118.4 . . ? C26 C25 H25 118.4 . . ? C27 C26 C25 119.3(4) . . ? C27 C26 H26 120.4 . . ? C25 C26 H26 120.4 . . ? C26 C27 C28 119.6(4) . . ? C26 C27 H27 120.2 . . ? C28 C27 H27 120.2 . . ? C27 C28 C34 117.9(4) . . ? C27 C28 C29 122.8(4) . . ? C34 C28 C29 119.3(4) . . ? C30 C29 C28 120.2(4) . . ? C30 C29 H29 119.9 . . ? C28 C29 H29 119.9 . . ? C29 C30 C24 122.1(4) . . ? C29 C30 H30 118.9 . . ? C24 C30 H30 118.9 . . ? C32 C31 C24 119.0(4) . . ? C32 C31 H31 120.5 . . ? C24 C31 H31 120.5 . . ? C31 C32 C33 119.4(4) . . ? C31 C32 H32 120.3 . . ? C33 C32 H32 120.3 . . ? N2 C33 C32 123.5(4) . . ? N2 C33 H33 118.3 . . ? C32 C33 H33 118.3 . . ? N1 C34 C28 121.8(4) . . ? N1 C34 C23 118.1(3) . . ? C28 C34 C23 120.1(3) . . ? C36 C35 C2 120.7(4) . . ? C36 C35 H35 119.6 . . ? C2 C35 H35 119.6 . . ? C35 C36 C37 120.0(3) . . ? C35 C36 C11 118.0(3) . . ? C37 C36 C11 121.6(3) . . ? C39 C37 C38 118.7(4) . . ? C39 C37 C36 118.4(3) . . ? C38 C37 C36 122.9(3) . . ? C5 C38 C37 120.1(4) . . ? C5 C38 H38 119.9 . . ? C37 C38 H38 119.9 . . ? C40 C39 C37 119.2(4) . . ? C40 C39 C8 122.2(4) . . ? C37 C39 C8 118.6(4) . . ? C2 C40 C39 121.3(4) . . ? C2 C40 H40 119.4 . . ? C39 C40 H40 119.4 . . ? C17 C41 C12 122.3(4) . . ? C17 C41 H41 118.9 . . ? C12 C41 H41 118.9 . . ? C9 C42 C18 121.8(4) . . ? C9 C42 C19 119.4(4) . . ? C18 C42 C19 118.8(4) . . ? C10 C43 C14 121.0(5) . . ? C10 C43 C6 120.3(4) . . ? C14 C43 C6 118.7(5) . . ? C10 C44 C45 119.5(5) . . ? C10 C44 H44 120.2 . . ? C45 C44 H44 120.2 . . ? C4 C45 C44 122.2(4) . . ? C4 C45 H45 118.9 . . ? C44 C45 H45 118.9 . . ? O1 Dy1 O3 77.24(9) 2_666 2_666 ? O1 Dy1 O4 74.30(9) 2_666 . ? O3 Dy1 O4 134.21(8) 2_666 . ? O1 Dy1 O5 90.84(9) 2_666 . ? O3 Dy1 O5 133.81(9) 2_666 . ? O4 Dy1 O5 81.86(9) . . ? O1 Dy1 O2 124.41(9) 2_666 . ? O3 Dy1 O2 80.13(9) 2_666 . ? O4 Dy1 O2 87.24(9) . . ? O5 Dy1 O2 138.51(9) . . ? O1 Dy1 O6 77.79(9) 2_666 . ? O3 Dy1 O6 80.44(9) 2_666 . ? O4 Dy1 O6 126.15(9) . . ? O5 Dy1 O6 53.37(9) . . ? O2 Dy1 O6 145.71(9) . . ? O1 Dy1 N1 142.78(10) 2_666 . ? O3 Dy1 N1 77.66(9) 2_666 . ? O4 Dy1 N1 141.64(9) . . ? O5 Dy1 N1 87.09(10) . . ? O2 Dy1 N1 77.11(9) . . ? O6 Dy1 N1 71.29(9) . . ? O1 Dy1 N2 149.91(9) 2_666 . ? O3 Dy1 N2 132.03(9) 2_666 . ? O4 Dy1 N2 78.13(9) . . ? O5 Dy1 N2 73.38(9) . . ? O2 Dy1 N2 65.20(9) . . ? O6 Dy1 N2 110.08(9) . . ? N1 Dy1 N2 63.51(10) . . ? O1 Dy1 O1 75.35(9) 2_666 . ? O3 Dy1 O1 67.21(8) 2_666 . ? O4 Dy1 O1 71.32(8) . . ? O5 Dy1 O1 152.23(9) . . ? O2 Dy1 O1 49.07(8) . . ? O6 Dy1 O1 141.56(8) . . ? N1 Dy1 O1 118.48(8) . . ? N2 Dy1 O1 106.96(8) . . ? O1 Dy1 C15 86.13(10) 2_666 . ? O3 Dy1 C15 107.27(10) 2_666 . ? O4 Dy1 C15 105.77(10) . . ? O5 Dy1 C15 26.67(10) . . ? O2 Dy1 C15 149.34(10) . . ? O6 Dy1 C15 26.92(10) . . ? N1 Dy1 C15 75.65(10) . . ? N2 Dy1 C15 89.97(10) . . ? O1 Dy1 C15 161.39(9) . . ? O1 Dy1 C11 100.42(10) 2_666 . ? O3 Dy1 C11 72.46(9) 2_666 . ? O4 Dy1 C11 78.30(9) . . ? O5 Dy1 C11 153.50(10) . . ? O2 Dy1 C11 24.00(9) . . ? O6 Dy1 C11 152.47(9) . . ? N1 Dy1 C11 97.67(10) . . ? N2 Dy1 C11 85.41(9) . . ? O1 Dy1 C11 25.07(8) . . ? C15 Dy1 C11 173.10(10) . . ? C25 N1 C34 118.1(3) . . ? C25 N1 Dy1 121.4(2) . . ? C34 N1 Dy1 119.3(2) . . ? C33 N2 C23 117.2(3) . . ? C33 N2 Dy1 124.1(2) . . ? C23 N2 Dy1 117.0(2) . . ? C11 O1 Dy1 169.8(3) . 2_666 ? C11 O1 Dy1 85.5(2) . . ? Dy1 O1 Dy1 104.65(9) 2_666 . ? C11 O2 Dy1 105.0(2) . . ? C1 O3 Dy1 140.2(2) . 2_666 ? C1 O4 Dy1 135.5(2) . . ? C15 O5 Dy1 96.5(2) . . ? C15 O6 Dy1 88.9(2) . . ? H1M O7 H2M 101.8(16) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 C1 C4 C45 35.0(5) . . . . ? O4 C1 C4 C45 -143.2(4) . . . . ? O3 C1 C4 C6 -145.0(3) . . . . ? O4 C1 C4 C6 36.8(5) . . . . ? C20 C3 C6 C43 0.9(6) . . . . ? C20 C3 C6 C4 -179.9(4) . . . . ? C45 C4 C6 C3 179.7(4) . . . . ? C1 C4 C6 C3 -0.3(6) . . . . ? C45 C4 C6 C43 -1.1(5) . . . . ? C1 C4 C6 C43 178.9(3) . . . . ? C42 C9 C12 C41 1.8(8) . . . . ? C39 C8 C13 C5 2.3(7) . . . . ? C38 C5 C13 C8 -1.9(7) . . . . ? C19 C7 C16 C21 2.2(8) . . . . ? O5 C15 C17 C41 31.4(5) . . . . ? O6 C15 C17 C41 -143.4(4) . . . . ? Dy1 C15 C17 C41 -34.2(13) . . . . ? O5 C15 C17 C19 -151.7(4) . . . . ? O6 C15 C17 C19 33.6(6) . . . . ? Dy1 C15 C17 C19 142.7(10) . . . . ? C41 C17 C19 C7 -172.9(4) . . . . ? C15 C17 C19 C7 10.3(6) . . . . ? C41 C17 C19 C42 3.5(6) . . . . ? C15 C17 C19 C42 -173.3(4) . . . . ? C16 C7 C19 C17 176.7(5) . . . . ? C16 C7 C19 C42 0.3(7) . . . . ? C6 C3 C20 C22 -0.9(8) . . . . ? C42 C18 C21 C16 -0.2(9) . . . . ? C7 C16 C21 C18 -2.3(9) . . . . ? C43 C14 C22 C20 0.9(9) . . . . ? C3 C20 C22 C14 0.0(9) . . . . ? N2 C23 C24 C31 0.7(6) . . . . ? C34 C23 C24 C31 -179.5(4) . . . . ? N2 C23 C24 C30 -179.9(3) . . . . ? C34 C23 C24 C30 -0.2(5) . . . . ? N1 C25 C26 C27 0.5(7) . . . . ? C25 C26 C27 C28 -2.7(6) . . . . ? C26 C27 C28 C34 2.0(6) . . . . ? C26 C27 C28 C29 -177.4(4) . . . . ? C27 C28 C29 C30 178.3(4) . . . . ? C34 C28 C29 C30 -1.2(6) . . . . ? C28 C29 C30 C24 0.3(7) . . . . ? C31 C24 C30 C29 179.7(4) . . . . ? C23 C24 C30 C29 0.4(6) . . . . ? C23 C24 C31 C32 -2.3(6) . . . . ? C30 C24 C31 C32 178.4(4) . . . . ? C24 C31 C32 C33 2.0(6) . . . . ? C31 C32 C33 N2 -0.1(7) . . . . ? C27 C28 C34 N1 0.7(5) . . . . ? C29 C28 C34 N1 -179.9(3) . . . . ? C27 C28 C34 C23 -178.1(3) . . . . ? C29 C28 C34 C23 1.4(5) . . . . ? N2 C23 C34 N1 0.3(5) . . . . ? C24 C23 C34 N1 -179.5(3) . . . . ? N2 C23 C34 C28 179.1(3) . . . . ? C24 C23 C34 C28 -0.7(5) . . . . ? C40 C2 C35 C36 1.2(7) . . . . ? C2 C35 C36 C37 -2.2(6) . . . . ? C2 C35 C36 C11 170.8(4) . . . . ? O2 C11 C36 C35 -128.7(4) . . . . ? O1 C11 C36 C35 48.6(5) . . . . ? Dy1 C11 C36 C35 -121.6(13) . . . . ? O2 C11 C36 C37 44.1(5) . . . . ? O1 C11 C36 C37 -138.5(4) . . . . ? Dy1 C11 C36 C37 51.3(15) . . . . ? C35 C36 C37 C39 2.2(5) . . . . ? C11 C36 C37 C39 -170.5(3) . . . . ? C35 C36 C37 C38 -179.5(4) . . . . ? C11 C36 C37 C38 7.7(5) . . . . ? C13 C5 C38 C37 -0.8(6) . . . . ? C39 C37 C38 C5 2.9(6) . . . . ? C36 C37 C38 C5 -175.4(4) . . . . ? C38 C37 C39 C40 -179.6(4) . . . . ? C36 C37 C39 C40 -1.2(6) . . . . ? C38 C37 C39 C8 -2.5(6) . . . . ? C36 C37 C39 C8 175.9(4) . . . . ? C13 C8 C39 C40 176.9(4) . . . . ? C13 C8 C39 C37 -0.1(7) . . . . ? C35 C2 C40 C39 -0.3(7) . . . . ? C37 C39 C40 C2 0.3(7) . . . . ? C8 C39 C40 C2 -176.7(4) . . . . ? C19 C17 C41 C12 -2.6(6) . . . . ? C15 C17 C41 C12 174.4(4) . . . . ? C9 C12 C41 C17 -0.1(7) . . . . ? C12 C9 C42 C18 176.5(5) . . . . ? C12 C9 C42 C19 -0.8(7) . . . . ? C21 C18 C42 C9 -174.7(5) . . . . ? C21 C18 C42 C19 2.6(8) . . . . ? C17 C19 C42 C9 -1.9(6) . . . . ? C7 C19 C42 C9 174.7(4) . . . . ? C17 C19 C42 C18 -179.2(4) . . . . ? C7 C19 C42 C18 -2.6(6) . . . . ? C44 C10 C43 C14 -179.6(4) . . . . ? C44 C10 C43 C6 -0.1(7) . . . . ? C22 C14 C43 C10 178.6(5) . . . . ? C22 C14 C43 C6 -0.9(7) . . . . ? C3 C6 C43 C10 -179.5(4) . . . . ? C4 C6 C43 C10 1.2(6) . . . . ? C3 C6 C43 C14 0.0(6) . . . . ? C4 C6 C43 C14 -179.3(4) . . . . ? C43 C10 C44 C45 -1.1(7) . . . . ? C6 C4 C45 C44 -0.1(6) . . . . ? C1 C4 C45 C44 179.9(4) . . . . ? C10 C44 C45 C4 1.3(7) . . . . ? O5 C15 Dy1 O1 99.6(2) . . . 2_666 ? O6 C15 Dy1 O1 -70.4(2) . . . 2_666 ? C17 C15 Dy1 O1 173.2(11) . . . 2_666 ? O5 C15 Dy1 O3 175.0(2) . . . 2_666 ? O6 C15 Dy1 O3 4.9(2) . . . 2_666 ? C17 C15 Dy1 O3 -111.5(11) . . . 2_666 ? O5 C15 Dy1 O4 27.1(2) . . . . ? O6 C15 Dy1 O4 -142.9(2) . . . . ? C17 C15 Dy1 O4 100.7(11) . . . . ? O6 C15 Dy1 O5 -170.1(4) . . . . ? C17 C15 Dy1 O5 73.6(11) . . . . ? O5 C15 Dy1 O2 -85.1(3) . . . . ? O6 C15 Dy1 O2 104.9(3) . . . . ? C17 C15 Dy1 O2 -11.5(13) . . . . ? O5 C15 Dy1 O6 170.1(4) . . . . ? C17 C15 Dy1 O6 -116.4(12) . . . . ? O5 C15 Dy1 N1 -113.1(2) . . . . ? O6 C15 Dy1 N1 76.8(2) . . . . ? C17 C15 Dy1 N1 -39.5(11) . . . . ? O5 C15 Dy1 N2 -50.5(2) . . . . ? O6 C15 Dy1 N2 139.4(2) . . . . ? C17 C15 Dy1 N2 23.0(11) . . . . ? O5 C15 Dy1 O1 105.4(3) . . . . ? O6 C15 Dy1 O1 -64.7(4) . . . . ? C17 C15 Dy1 O1 178.9(10) . . . . ? O5 C15 Dy1 C11 -98.3(9) . . . . ? O6 C15 Dy1 C11 91.6(9) . . . . ? C17 C15 Dy1 C11 -24.7(18) . . . . ? O2 C11 Dy1 O1 178.5(2) . . . 2_666 ? O1 C11 Dy1 O1 -0.6(2) . . . 2_666 ? C36 C11 Dy1 O1 170.4(14) . . . 2_666 ? O2 C11 Dy1 O3 105.5(2) . . . 2_666 ? O1 C11 Dy1 O3 -73.5(2) . . . 2_666 ? C36 C11 Dy1 O3 97.5(14) . . . 2_666 ? O2 C11 Dy1 O4 -110.1(2) . . . . ? O1 C11 Dy1 O4 70.8(2) . . . . ? C36 C11 Dy1 O4 -118.2(14) . . . . ? O2 C11 Dy1 O5 -67.8(3) . . . . ? O1 C11 Dy1 O5 113.1(3) . . . . ? C36 C11 Dy1 O5 -75.9(14) . . . . ? O1 C11 Dy1 O2 -179.1(4) . . . . ? C36 C11 Dy1 O2 -8.0(13) . . . . ? O2 C11 Dy1 O6 94.9(3) . . . . ? O1 C11 Dy1 O6 -84.2(3) . . . . ? C36 C11 Dy1 O6 86.9(14) . . . . ? O2 C11 Dy1 N1 31.1(2) . . . . ? O1 C11 Dy1 N1 -147.9(2) . . . . ? C36 C11 Dy1 N1 23.1(14) . . . . ? O2 C11 Dy1 N2 -31.3(2) . . . . ? O1 C11 Dy1 N2 149.6(2) . . . . ? C36 C11 Dy1 N2 -39.4(14) . . . . ? O2 C11 Dy1 O1 179.1(4) . . . . ? C36 C11 Dy1 O1 171.0(15) . . . . ? O2 C11 Dy1 C15 16.7(10) . . . . ? O1 C11 Dy1 C15 -162.4(8) . . . . ? C36 C11 Dy1 C15 9(2) . . . . ? C26 C25 N1 C34 2.1(6) . . . . ? C26 C25 N1 Dy1 -164.9(3) . . . . ? C28 C34 N1 C25 -2.7(5) . . . . ? C23 C34 N1 C25 176.1(3) . . . . ? C28 C34 N1 Dy1 164.6(3) . . . . ? C23 C34 N1 Dy1 -16.6(4) . . . . ? O1 Dy1 N1 C25 -15.9(4) 2_666 . . . ? O3 Dy1 N1 C25 32.6(3) 2_666 . . . ? O4 Dy1 N1 C25 -176.5(3) . . . . ? O5 Dy1 N1 C25 -103.5(3) . . . . ? O2 Dy1 N1 C25 115.2(3) . . . . ? O6 Dy1 N1 C25 -51.3(3) . . . . ? N2 Dy1 N1 C25 -176.4(3) . . . . ? O1 Dy1 N1 C25 87.9(3) . . . . ? C15 Dy1 N1 C25 -79.1(3) . . . . ? C11 Dy1 N1 C25 102.7(3) . . . . ? O1 Dy1 N1 C34 177.2(2) 2_666 . . . ? O3 Dy1 N1 C34 -134.2(3) 2_666 . . . ? O4 Dy1 N1 C34 16.7(3) . . . . ? O5 Dy1 N1 C34 89.7(3) . . . . ? O2 Dy1 N1 C34 -51.7(2) . . . . ? O6 Dy1 N1 C34 141.8(3) . . . . ? N2 Dy1 N1 C34 16.8(2) . . . . ? O1 Dy1 N1 C34 -79.0(3) . . . . ? C15 Dy1 N1 C34 114.1(3) . . . . ? C11 Dy1 N1 C34 -64.2(3) . . . . ? C32 C33 N2 C23 -1.5(6) . . . . ? C32 C33 N2 Dy1 163.5(3) . . . . ? C24 C23 N2 C33 1.1(5) . . . . ? C34 C23 N2 C33 -178.6(3) . . . . ? C24 C23 N2 Dy1 -164.9(3) . . . . ? C34 C23 N2 Dy1 15.3(4) . . . . ? O1 Dy1 N2 C33 22.4(4) 2_666 . . . ? O3 Dy1 N2 C33 -141.8(3) 2_666 . . . ? O4 Dy1 N2 C33 -1.5(3) . . . . ? O5 Dy1 N2 C33 83.5(3) . . . . ? O2 Dy1 N2 C33 -93.9(3) . . . . ? O6 Dy1 N2 C33 122.9(3) . . . . ? N1 Dy1 N2 C33 178.6(3) . . . . ? O1 Dy1 N2 C33 -67.5(3) . . . . ? C15 Dy1 N2 C33 104.7(3) . . . . ? C11 Dy1 N2 C33 -80.5(3) . . . . ? O1 Dy1 N2 C23 -172.6(2) 2_666 . . . ? O3 Dy1 N2 C23 23.1(3) 2_666 . . . ? O4 Dy1 N2 C23 163.5(3) . . . . ? O5 Dy1 N2 C23 -111.6(3) . . . . ? O2 Dy1 N2 C23 71.0(2) . . . . ? O6 Dy1 N2 C23 -72.1(3) . . . . ? N1 Dy1 N2 C23 -16.4(2) . . . . ? O1 Dy1 N2 C23 97.5(2) . . . . ? C15 Dy1 N2 C23 -90.4(3) . . . . ? C11 Dy1 N2 C23 84.5(2) . . . . ? O2 C11 O1 Dy1 175.7(11) . . . 2_666 ? C36 C11 O1 Dy1 -1.6(16) . . . 2_666 ? Dy1 C11 O1 Dy1 176.6(14) . . . 2_666 ? O2 C11 O1 Dy1 -0.8(3) . . . . ? C36 C11 O1 Dy1 -178.1(3) . . . . ? O1 Dy1 O1 C11 179.4(2) 2_666 . . . ? O3 Dy1 O1 C11 97.3(2) 2_666 . . . ? O4 Dy1 O1 C11 -102.6(2) . . . . ? O5 Dy1 O1 C11 -118.3(2) . . . . ? O2 Dy1 O1 C11 0.50(19) . . . . ? O6 Dy1 O1 C11 132.3(2) . . . . ? N1 Dy1 O1 C11 36.8(2) . . . . ? N2 Dy1 O1 C11 -31.8(2) . . . . ? C15 Dy1 O1 C11 173.5(3) . . . . ? O1 Dy1 O1 Dy1 0.0 2_666 . . 2_666 ? O3 Dy1 O1 Dy1 -82.08(10) 2_666 . . 2_666 ? O4 Dy1 O1 Dy1 78.06(10) . . . 2_666 ? O5 Dy1 O1 Dy1 62.4(2) . . . 2_666 ? O2 Dy1 O1 Dy1 -178.88(15) . . . 2_666 ? O6 Dy1 O1 Dy1 -47.08(17) . . . 2_666 ? N1 Dy1 O1 Dy1 -142.62(10) . . . 2_666 ? N2 Dy1 O1 Dy1 148.79(10) . . . 2_666 ? C15 Dy1 O1 Dy1 -5.9(3) . . . 2_666 ? C11 Dy1 O1 Dy1 -179.4(2) . . . 2_666 ? O1 C11 O2 Dy1 1.0(4) . . . . ? C36 C11 O2 Dy1 178.4(3) . . . . ? O1 Dy1 O2 C11 -1.8(3) 2_666 . . . ? O3 Dy1 O2 C11 -68.8(2) 2_666 . . . ? O4 Dy1 O2 C11 67.0(2) . . . . ? O5 Dy1 O2 C11 141.4(2) . . . . ? O6 Dy1 O2 C11 -125.2(2) . . . . ? N1 Dy1 O2 C11 -148.3(2) . . . . ? N2 Dy1 O2 C11 145.2(3) . . . . ? O1 Dy1 O2 C11 -0.5(2) . . . . ? C15 Dy1 O2 C11 -176.1(2) . . . . ? O4 C1 O3 Dy1 -12.6(6) . . . 2_666 ? C4 C1 O3 Dy1 169.4(2) . . . 2_666 ? O3 C1 O4 Dy1 29.9(6) . . . . ? C4 C1 O4 Dy1 -152.0(2) . . . . ? O1 Dy1 O4 C1 22.3(3) 2_666 . . . ? O3 Dy1 O4 C1 -31.3(4) 2_666 . . . ? O5 Dy1 O4 C1 115.5(3) . . . . ? O2 Dy1 O4 C1 -104.7(3) . . . . ? O6 Dy1 O4 C1 83.8(3) . . . . ? N1 Dy1 O4 C1 -169.8(3) . . . . ? N2 Dy1 O4 C1 -169.9(3) . . . . ? O1 Dy1 O4 C1 -57.2(3) . . . . ? C15 Dy1 O4 C1 103.5(3) . . . . ? C11 Dy1 O4 C1 -82.2(3) . . . . ? O6 C15 O5 Dy1 10.4(4) . . . . ? C17 C15 O5 Dy1 -164.4(3) . . . . ? O1 Dy1 O5 C15 -79.7(2) 2_666 . . . ? O3 Dy1 O5 C15 -6.6(3) 2_666 . . . ? O4 Dy1 O5 C15 -153.7(2) . . . . ? O2 Dy1 O5 C15 129.9(2) . . . . ? O6 Dy1 O5 C15 -5.6(2) . . . . ? N1 Dy1 O5 C15 63.2(2) . . . . ? N2 Dy1 O5 C15 126.4(2) . . . . ? O1 Dy1 O5 C15 -138.7(2) . . . . ? C11 Dy1 O5 C15 164.6(2) . . . . ? O5 C15 O6 Dy1 -9.6(3) . . . . ? C17 C15 O6 Dy1 165.0(3) . . . . ? O1 Dy1 O6 C15 105.9(2) 2_666 . . . ? O3 Dy1 O6 C15 -175.2(2) 2_666 . . . ? O4 Dy1 O6 C15 45.9(2) . . . . ? O5 Dy1 O6 C15 5.5(2) . . . . ? O2 Dy1 O6 C15 -119.0(2) . . . . ? N1 Dy1 O6 C15 -95.1(2) . . . . ? N2 Dy1 O6 C15 -43.8(2) . . . . ? O1 Dy1 O6 C15 152.35(19) . . . . ? C11 Dy1 O6 C15 -165.0(2) . . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.604 _refine_diff_density_min -0.563 _refine_diff_density_rms 0.084 # Attachment '2.cif' data_2a _database_code_depnum_ccdc_archive 'CCDC 845008' #TrackingRef '2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C90 H58 Dy2 N4 O12' _chemical_formula_weight 1712.40 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' O O 0.0106 0.0060 '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' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.1856(3) _cell_length_b 12.7654(3) _cell_length_c 13.0999(3) _cell_angle_alpha 88.5740(10) _cell_angle_beta 62.341(2) _cell_angle_gamma 80.6510(10) _cell_volume 1777.93(7) _cell_formula_units_Z 1 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 9933 _cell_measurement_theta_min 2.64 _cell_measurement_theta_max 26.76 _exptl_crystal_description Block _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.23 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.599 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 854 _exptl_absorpt_coefficient_mu 2.156 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.6369 _exptl_absorpt_correction_T_max 0.7107 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 25453 _diffrn_reflns_av_R_equivalents 0.0260 _diffrn_reflns_av_sigmaI/netI 0.0218 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.62 _diffrn_reflns_theta_max 25.00 _reflns_number_total 6262 _reflns_number_gt 5830 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0243P)^2^+0.2455P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6262 _refine_ls_number_parameters 487 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0198 _refine_ls_R_factor_gt 0.0174 _refine_ls_wR_factor_ref 0.0440 _refine_ls_wR_factor_gt 0.0431 _refine_ls_goodness_of_fit_ref 1.066 _refine_ls_restrained_S_all 1.066 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 C1 C 0.3538(2) 0.63148(18) 0.67351(18) 0.0351(5) Uani 1 1 d . . . C2 C 0.5969(2) 0.39971(17) 0.62841(19) 0.0340(5) Uani 1 1 d . . . C3 C 0.3322(2) 0.23039(19) 0.4855(2) 0.0427(6) Uani 1 1 d . . . C4 C 0.31457(19) 0.73846(18) 0.73602(18) 0.0349(5) Uani 1 1 d . . . C5 C 0.2000(2) 0.80512(18) 0.75509(19) 0.0377(5) Uani 1 1 d . . . C6 C 0.0366(2) 0.45336(19) 0.7735(2) 0.0399(6) Uani 1 1 d . . . C7 C 0.7468(2) 0.31216(18) 0.7070(2) 0.0363(5) Uani 1 1 d . . . C8 C 0.3543(3) -0.0029(2) 0.2917(3) 0.0636(8) Uani 1 1 d . . . C9 C 0.3535(3) 0.8675(2) 0.8414(3) 0.0627(8) Uani 1 1 d . . . H9 H 0.4044 0.8874 0.8702 0.075 Uiso 1 1 calc R . . C10 C 0.6262(2) 0.36565(18) 0.72520(19) 0.0352(5) Uani 1 1 d . . . C11 C 0.0499(2) 0.5258(2) 0.6073(2) 0.0467(6) Uani 1 1 d . . . H11 H 0.0980 0.5381 0.5300 0.056 Uiso 1 1 calc R . . C12 C 0.3373(2) 0.12252(19) 0.4383(2) 0.0463(6) Uani 1 1 d . . . C13 C 0.2090(4) 0.2492(3) 0.9280(3) 0.0722(10) Uani 1 1 d . . . H13 H 0.2494 0.2001 0.9584 0.087 Uiso 1 1 calc R . . C14 C 0.5492(3) 0.3624(3) 0.9313(2) 0.0618(8) Uani 1 1 d . . . H14 H 0.4835 0.3798 1.0054 0.074 Uiso 1 1 calc R . . C15 C 0.3345(2) 0.1044(2) 0.3327(2) 0.0475(6) Uani 1 1 d . . . C16 C 0.7638(2) 0.28549(19) 0.8055(2) 0.0449(6) Uani 1 1 d . . . C17 C 0.8487(2) 0.2800(2) 0.5972(2) 0.0492(6) Uani 1 1 d . . . H17 H 0.8387 0.2934 0.5316 0.059 Uiso 1 1 calc R . . C18 C 0.9795(3) 0.2070(3) 0.6825(3) 0.0705(9) Uani 1 1 d . . . H18 H 1.0578 0.1746 0.6734 0.085 Uiso 1 1 calc R . . C19 C 0.0965(2) 0.3872(2) 0.82956(19) 0.0426(6) Uani 1 1 d . . . C20 C 0.1218(2) 0.7797(2) 0.7098(2) 0.0464(6) Uani 1 1 d . . . H20 H 0.1434 0.7157 0.6672 0.056 Uiso 1 1 calc R . . C21 C -0.0940(2) 0.4933(2) 0.8340(2) 0.0537(7) Uani 1 1 d . . . C22 C -0.1489(2) 0.5503(2) 0.7729(3) 0.0635(8) Uani 1 1 d . . . H22 H -0.2344 0.5777 0.8098 0.076 Uiso 1 1 calc R . . C23 C 0.3258(3) 0.1620(3) 0.1589(3) 0.0744(9) Uani 1 1 d . . . H23 H 0.3155 0.2170 0.1146 0.089 Uiso 1 1 calc R . . C24 C 0.3895(2) 0.7708(2) 0.7763(2) 0.0487(6) Uani 1 1 d . . . H24 H 0.4657 0.7280 0.7603 0.058 Uiso 1 1 calc R . . C25 C -0.0190(3) 0.9446(3) 0.7923(3) 0.0795(10) Uani 1 1 d . . . H25 H -0.0923 0.9905 0.8050 0.095 Uiso 1 1 calc R . . C26 C 0.3606(3) -0.0225(3) 0.1828(4) 0.0833(11) Uani 1 1 d . . . H26 H 0.3745 -0.0925 0.1555 0.100 Uiso 1 1 calc R . . C27 C 0.1653(2) 0.9033(2) 0.8194(2) 0.0506(6) Uani 1 1 d . . . C28 C 0.0535(3) 0.9712(2) 0.8357(3) 0.0732(9) Uani 1 1 d . . . H28 H 0.0299 1.0359 0.8777 0.088 Uiso 1 1 calc R . . C29 C 0.5305(2) 0.3887(2) 0.8354(2) 0.0487(6) Uani 1 1 d . . . H29 H 0.4517 0.4225 0.8468 0.058 Uiso 1 1 calc R . . C30 C -0.0789(2) 0.5663(2) 0.6603(3) 0.0584(7) Uani 1 1 d . . . H30 H -0.1155 0.6035 0.6187 0.070 Uiso 1 1 calc R . . C31 C -0.1616(3) 0.4692(3) 0.9527(3) 0.0721(10) Uani 1 1 d . . . H31 H -0.2464 0.4982 0.9946 0.087 Uiso 1 1 calc R . . C32 C 0.0239(3) 0.3601(2) 0.9444(2) 0.0577(8) Uani 1 1 d . . . C33 C 0.0149(3) 0.8479(3) 0.7278(3) 0.0656(8) Uani 1 1 d . . . H33 H -0.0354 0.8302 0.6973 0.079 Uiso 1 1 calc R . . C34 C 0.8825(3) 0.2323(2) 0.7894(3) 0.0619(8) Uani 1 1 d . . . H34 H 0.8940 0.2145 0.8535 0.074 Uiso 1 1 calc R . . C35 C 0.3704(3) -0.0865(2) 0.3582(4) 0.0815(11) Uani 1 1 d . . . H35 H 0.3821 -0.1564 0.3317 0.098 Uiso 1 1 calc R . . C36 C 0.3538(3) 0.0378(2) 0.4997(3) 0.0658(8) Uani 1 1 d . . . H36 H 0.3547 0.0504 0.5689 0.079 Uiso 1 1 calc R . . C37 C 0.6624(3) 0.3117(2) 0.9165(2) 0.0581(7) Uani 1 1 d . . . H37 H 0.6734 0.2939 0.9808 0.070 Uiso 1 1 calc R . . C38 C 0.3693(4) -0.0675(2) 0.4598(4) 0.0832(11) Uani 1 1 d . . . H38 H 0.3787 -0.1239 0.5031 0.100 Uiso 1 1 calc R . . C39 C 0.3195(2) 0.1857(2) 0.2623(3) 0.0536(7) Uani 1 1 d . . . H39 H 0.3051 0.2565 0.2873 0.064 Uiso 1 1 calc R . . C40 C -0.1073(3) 0.4070(3) 1.0043(3) 0.0738(10) Uani 1 1 d . . . H40 H -0.1549 0.3932 1.0812 0.089 Uiso 1 1 calc R . . C41 C 0.2744(3) 0.2823(2) 0.8170(2) 0.0572(7) Uani 1 1 d . . . H41 H 0.3597 0.2553 0.7748 0.069 Uiso 1 1 calc R . . C42 C 0.0843(4) 0.2901(3) 0.9917(3) 0.0756(10) Uani 1 1 d . . . H42 H 0.0399 0.2708 1.0671 0.091 Uiso 1 1 calc R . . C43 C 0.9619(3) 0.2296(3) 0.5855(3) 0.0668(9) Uani 1 1 d . . . H43 H 1.0282 0.2099 0.5121 0.080 Uiso 1 1 calc R . . C44 C 0.3473(4) 0.0568(4) 0.1178(4) 0.0891(12) Uani 1 1 d . . . H44 H 0.3523 0.0418 0.0465 0.107 Uiso 1 1 calc R . . C45 C 0.2443(3) 0.9315(2) 0.8621(3) 0.0667(9) Uani 1 1 d . . . H45 H 0.2209 0.9953 0.9054 0.080 Uiso 1 1 calc R . . Dy1 Dy 0.347629(8) 0.420226(7) 0.570566(8) 0.02834(4) Uani 1 1 d . . . N1 N 0.22141(18) 0.35001(16) 0.76831(17) 0.0427(5) Uani 1 1 d . . . N2 N 0.10689(16) 0.47110(15) 0.66098(16) 0.0360(4) Uani 1 1 d . . . O1 O 0.49294(14) 0.38305(13) 0.64014(14) 0.0429(4) Uani 1 1 d . . . O2 O 0.67465(13) 0.44439(12) 0.54575(13) 0.0384(4) Uani 1 1 d . . . O3 O 0.46446(15) 0.60654(14) 0.59415(14) 0.0498(4) Uani 1 1 d . . . O4 O 0.27546(15) 0.56988(12) 0.70336(14) 0.0413(4) Uani 1 1 d . . . O5 O 0.3778(2) 0.23382(14) 0.55366(17) 0.0600(5) Uani 1 1 d . . . O6 O 0.28627(16) 0.31509(13) 0.45770(15) 0.0468(4) Uani 1 1 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 C1 0.0354(12) 0.0393(13) 0.0251(11) -0.0019(9) -0.0117(10) 0.0009(10) C2 0.0339(12) 0.0296(11) 0.0349(12) 0.0019(9) -0.0147(10) 0.0000(9) C3 0.0390(13) 0.0368(14) 0.0413(14) -0.0021(11) -0.0090(11) -0.0079(11) C4 0.0297(11) 0.0377(12) 0.0274(11) -0.0005(9) -0.0050(9) -0.0057(9) C5 0.0353(12) 0.0347(12) 0.0335(12) 0.0038(10) -0.0084(10) -0.0056(10) C6 0.0336(12) 0.0427(13) 0.0348(13) -0.0094(10) -0.0055(10) -0.0156(10) C7 0.0409(12) 0.0326(12) 0.0418(13) 0.0082(10) -0.0238(11) -0.0099(10) C8 0.0508(16) 0.0489(18) 0.088(2) -0.0223(16) -0.0279(16) -0.0092(13) C9 0.0566(17) 0.0653(19) 0.068(2) -0.0168(16) -0.0283(15) -0.0153(15) C10 0.0365(12) 0.0361(12) 0.0353(12) 0.0051(10) -0.0173(10) -0.0110(10) C11 0.0366(12) 0.0497(15) 0.0523(16) 0.0007(12) -0.0197(12) -0.0061(11) C12 0.0395(13) 0.0342(13) 0.0575(16) -0.0039(12) -0.0154(12) -0.0082(10) C13 0.104(3) 0.078(2) 0.065(2) 0.0400(18) -0.057(2) -0.048(2) C14 0.0652(18) 0.081(2) 0.0329(14) 0.0021(14) -0.0165(13) -0.0166(16) C15 0.0313(12) 0.0431(14) 0.0640(17) -0.0145(13) -0.0177(12) -0.0067(10) C16 0.0567(15) 0.0388(14) 0.0534(16) 0.0109(11) -0.0351(13) -0.0170(12) C17 0.0432(13) 0.0520(16) 0.0463(15) 0.0083(12) -0.0192(12) 0.0022(12) C18 0.0543(18) 0.066(2) 0.096(3) 0.0136(18) -0.0438(19) 0.0045(15) C19 0.0468(14) 0.0496(15) 0.0282(12) -0.0005(10) -0.0093(11) -0.0250(12) C20 0.0441(13) 0.0492(15) 0.0421(14) 0.0015(11) -0.0184(11) -0.0030(11) C21 0.0351(13) 0.0548(16) 0.0515(16) -0.0169(13) 0.0000(12) -0.0165(12) C22 0.0296(13) 0.0601(18) 0.083(2) -0.0163(16) -0.0129(15) 0.0002(12) C23 0.078(2) 0.076(2) 0.084(2) -0.0161(18) -0.0521(19) -0.0041(18) C24 0.0388(13) 0.0496(15) 0.0530(16) -0.0095(12) -0.0172(12) -0.0066(11) C25 0.0585(19) 0.062(2) 0.108(3) 0.0051(19) -0.039(2) 0.0153(16) C26 0.070(2) 0.070(2) 0.110(3) -0.042(2) -0.042(2) -0.0048(18) C27 0.0518(15) 0.0364(14) 0.0544(16) -0.0033(12) -0.0182(13) -0.0031(11) C28 0.0662(19) 0.0414(17) 0.096(3) -0.0120(16) -0.0311(19) 0.0141(14) C29 0.0397(13) 0.0608(17) 0.0393(14) 0.0015(12) -0.0137(11) -0.0068(12) C30 0.0395(14) 0.0569(17) 0.076(2) -0.0049(15) -0.0267(15) -0.0007(12) C31 0.0477(16) 0.082(2) 0.0534(19) -0.0188(17) 0.0100(15) -0.0264(16) C32 0.0687(18) 0.0714(19) 0.0318(14) 0.0065(13) -0.0137(13) -0.0402(16) C33 0.0552(17) 0.074(2) 0.073(2) 0.0109(17) -0.0375(16) -0.0035(15) C34 0.075(2) 0.0524(17) 0.086(2) 0.0189(16) -0.0621(19) -0.0104(15) C35 0.085(2) 0.0371(17) 0.119(3) -0.0113(19) -0.041(2) -0.0163(16) C36 0.075(2) 0.0439(17) 0.077(2) 0.0091(15) -0.0318(17) -0.0180(14) C37 0.076(2) 0.0690(19) 0.0439(16) 0.0153(14) -0.0378(15) -0.0223(16) C38 0.097(3) 0.0393(17) 0.112(3) 0.0124(18) -0.046(2) -0.0196(17) C39 0.0485(15) 0.0502(16) 0.0685(19) -0.0146(14) -0.0338(14) -0.0016(12) C40 0.067(2) 0.098(3) 0.0335(16) -0.0084(16) 0.0063(15) -0.0457(19) C41 0.0669(18) 0.0612(18) 0.0563(17) 0.0234(14) -0.0355(15) -0.0267(15) C42 0.103(3) 0.095(3) 0.0410(17) 0.0235(17) -0.0300(18) -0.063(2) C43 0.0486(16) 0.068(2) 0.069(2) 0.0102(16) -0.0213(15) 0.0089(14) C44 0.086(3) 0.103(3) 0.092(3) -0.039(2) -0.055(2) -0.003(2) C45 0.0670(19) 0.0455(16) 0.080(2) -0.0226(15) -0.0275(17) -0.0055(14) Dy1 0.02546(6) 0.02981(6) 0.02531(6) 0.00083(4) -0.00891(4) -0.00225(4) N1 0.0459(11) 0.0482(12) 0.0374(11) 0.0136(9) -0.0189(10) -0.0205(10) N2 0.0292(9) 0.0396(11) 0.0341(10) -0.0020(8) -0.0097(8) -0.0080(8) O1 0.0374(9) 0.0506(10) 0.0475(10) 0.0116(8) -0.0245(8) -0.0116(7) O2 0.0317(8) 0.0426(9) 0.0366(9) 0.0114(7) -0.0136(7) -0.0038(7) O3 0.0345(9) 0.0564(11) 0.0353(9) -0.0037(8) -0.0011(7) 0.0065(8) O4 0.0402(9) 0.0379(9) 0.0390(9) -0.0058(7) -0.0123(7) -0.0069(7) O5 0.1005(15) 0.0356(10) 0.0607(12) 0.0038(9) -0.0523(12) -0.0095(10) O6 0.0493(10) 0.0339(9) 0.0602(11) -0.0084(8) -0.0305(9) 0.0023(7) _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 C1 O4 1.251(3) . ? C1 O3 1.255(3) . ? C1 C4 1.498(3) . ? C2 O1 1.256(3) . ? C2 O2 1.260(3) . ? C2 C10 1.506(3) . ? C3 O5 1.256(3) . ? C3 O6 1.260(3) . ? C3 C12 1.504(3) . ? C3 Dy1 2.761(2) . ? C4 C24 1.365(3) . ? C4 C5 1.427(3) . ? C5 C20 1.414(3) . ? C5 C27 1.417(3) . ? C6 N2 1.353(3) . ? C6 C21 1.417(3) . ? C6 C19 1.433(4) . ? C7 C17 1.410(3) . ? C7 C16 1.424(3) . ? C7 C10 1.428(3) . ? C8 C35 1.408(5) . ? C8 C26 1.419(5) . ? C8 C15 1.426(4) . ? C9 C45 1.354(4) . ? C9 C24 1.405(4) . ? C9 H9 0.9300 . ? C10 C29 1.370(3) . ? C11 N2 1.317(3) . ? C11 C30 1.399(3) . ? C11 H11 0.9300 . ? C12 C36 1.376(4) . ? C12 C15 1.424(4) . ? C13 C42 1.366(5) . ? C13 C41 1.390(4) . ? C13 H13 0.9300 . ? C14 C37 1.352(4) . ? C14 C29 1.401(4) . ? C14 H14 0.9300 . ? C15 C39 1.417(4) . ? C16 C37 1.405(4) . ? C16 C34 1.415(4) . ? C17 C43 1.363(4) . ? C17 H17 0.9300 . ? C18 C34 1.350(4) . ? C18 C43 1.400(5) . ? C18 H18 0.9300 . ? C19 N1 1.355(3) . ? C19 C32 1.415(3) . ? C20 C33 1.366(4) . ? C20 H20 0.9300 . ? C21 C22 1.389(4) . ? C21 C31 1.436(4) . ? C22 C30 1.348(4) . ? C22 H22 0.9300 . ? C23 C39 1.360(4) . ? C23 C44 1.398(5) . ? C23 H23 0.9300 . ? C24 H24 0.9300 . ? C25 C28 1.340(5) . ? C25 C33 1.404(5) . ? C25 H25 0.9300 . ? C26 C44 1.344(5) . ? C26 H26 0.9300 . ? C27 C45 1.411(4) . ? C27 C28 1.417(4) . ? C28 H28 0.9300 . ? C29 H29 0.9300 . ? C30 H30 0.9300 . ? C31 C40 1.319(5) . ? C31 H31 0.9300 . ? C32 C42 1.380(5) . ? C32 C40 1.442(5) . ? C33 H33 0.9300 . ? C34 H34 0.9300 . ? C35 C38 1.352(5) . ? C35 H35 0.9300 . ? C36 C38 1.406(4) . ? C36 H36 0.9300 . ? C37 H37 0.9300 . ? C38 H38 0.9300 . ? C39 H39 0.9300 . ? C40 H40 0.9300 . ? C41 N1 1.320(3) . ? C41 H41 0.9300 . ? C42 H42 0.9300 . ? C43 H43 0.9300 . ? C44 H44 0.9300 . ? C45 H45 0.9300 . ? Dy1 O3 2.2828(15) 2_666 ? Dy1 O1 2.3228(15) . ? Dy1 O2 2.3415(14) 2_666 ? Dy1 O5 2.3480(17) . ? Dy1 O4 2.3766(15) . ? Dy1 O6 2.4491(17) . ? Dy1 N1 2.5520(18) . ? Dy1 N2 2.5736(17) . ? O2 Dy1 2.3415(14) 2_666 ? O3 Dy1 2.2828(15) 2_666 ? 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 O4 C1 O3 122.5(2) . . ? O4 C1 C4 118.71(19) . . ? O3 C1 C4 118.8(2) . . ? O1 C2 O2 125.8(2) . . ? O1 C2 C10 115.57(19) . . ? O2 C2 C10 118.6(2) . . ? O5 C3 O6 120.3(2) . . ? O5 C3 C12 117.3(2) . . ? O6 C3 C12 122.4(2) . . ? O5 C3 Dy1 57.86(12) . . ? O6 C3 Dy1 62.48(13) . . ? C12 C3 Dy1 173.91(18) . . ? C24 C4 C5 120.3(2) . . ? C24 C4 C1 118.8(2) . . ? C5 C4 C1 120.9(2) . . ? C20 C5 C27 118.5(2) . . ? C20 C5 C4 123.3(2) . . ? C27 C5 C4 118.1(2) . . ? N2 C6 C21 121.9(2) . . ? N2 C6 C19 118.1(2) . . ? C21 C6 C19 119.9(2) . . ? C17 C7 C16 117.8(2) . . ? C17 C7 C10 123.8(2) . . ? C16 C7 C10 118.3(2) . . ? C35 C8 C26 121.7(3) . . ? C35 C8 C15 119.6(3) . . ? C26 C8 C15 118.7(3) . . ? C45 C9 C24 119.7(3) . . ? C45 C9 H9 120.2 . . ? C24 C9 H9 120.2 . . ? C29 C10 C7 119.8(2) . . ? C29 C10 C2 116.9(2) . . ? C7 C10 C2 123.4(2) . . ? N2 C11 C30 123.6(3) . . ? N2 C11 H11 118.2 . . ? C30 C11 H11 118.2 . . ? C36 C12 C15 120.0(2) . . ? C36 C12 C3 115.8(3) . . ? C15 C12 C3 124.0(2) . . ? C42 C13 C41 118.8(3) . . ? C42 C13 H13 120.6 . . ? C41 C13 H13 120.6 . . ? C37 C14 C29 120.3(3) . . ? C37 C14 H14 119.9 . . ? C29 C14 H14 119.9 . . ? C39 C15 C12 124.5(2) . . ? C39 C15 C8 117.4(3) . . ? C12 C15 C8 118.0(3) . . ? C37 C16 C34 121.4(3) . . ? C37 C16 C7 119.4(2) . . ? C34 C16 C7 119.2(3) . . ? C43 C17 C7 121.0(3) . . ? C43 C17 H17 119.5 . . ? C7 C17 H17 119.5 . . ? C34 C18 C43 119.9(3) . . ? C34 C18 H18 120.1 . . ? C43 C18 H18 120.1 . . ? N1 C19 C32 122.3(3) . . ? N1 C19 C6 118.0(2) . . ? C32 C19 C6 119.6(2) . . ? C33 C20 C5 120.9(3) . . ? C33 C20 H20 119.6 . . ? C5 C20 H20 119.6 . . ? C22 C21 C6 117.4(2) . . ? C22 C21 C31 124.3(3) . . ? C6 C21 C31 118.2(3) . . ? C30 C22 C21 120.4(2) . . ? C30 C22 H22 119.8 . . ? C21 C22 H22 119.8 . . ? C39 C23 C44 121.4(4) . . ? C39 C23 H23 119.3 . . ? C44 C23 H23 119.3 . . ? C4 C24 C9 121.1(2) . . ? C4 C24 H24 119.4 . . ? C9 C24 H24 119.4 . . ? C28 C25 C33 120.4(3) . . ? C28 C25 H25 119.8 . . ? C33 C25 H25 119.8 . . ? C44 C26 C8 122.1(3) . . ? C44 C26 H26 118.9 . . ? C8 C26 H26 118.9 . . ? C45 C27 C28 122.3(3) . . ? C45 C27 C5 119.3(2) . . ? C28 C27 C5 118.4(3) . . ? C25 C28 C27 121.6(3) . . ? C25 C28 H28 119.2 . . ? C27 C28 H28 119.2 . . ? C10 C29 C14 121.2(2) . . ? C10 C29 H29 119.4 . . ? C14 C29 H29 119.4 . . ? C22 C30 C11 118.6(3) . . ? C22 C30 H30 120.7 . . ? C11 C30 H30 120.7 . . ? C40 C31 C21 122.0(3) . . ? C40 C31 H31 119.0 . . ? C21 C31 H31 119.0 . . ? C42 C32 C19 117.3(3) . . ? C42 C32 C40 124.3(3) . . ? C19 C32 C40 118.3(3) . . ? C20 C33 C25 120.1(3) . . ? C20 C33 H33 119.9 . . ? C25 C33 H33 119.9 . . ? C18 C34 C16 121.1(3) . . ? C18 C34 H34 119.4 . . ? C16 C34 H34 119.4 . . ? C38 C35 C8 121.5(3) . . ? C38 C35 H35 119.3 . . ? C8 C35 H35 119.3 . . ? C12 C36 C38 121.3(3) . . ? C12 C36 H36 119.4 . . ? C38 C36 H36 119.4 . . ? C14 C37 C16 121.1(3) . . ? C14 C37 H37 119.4 . . ? C16 C37 H37 119.4 . . ? C35 C38 C36 119.7(3) . . ? C35 C38 H38 120.2 . . ? C36 C38 H38 120.2 . . ? C23 C39 C15 121.2(3) . . ? C23 C39 H39 119.4 . . ? C15 C39 H39 119.4 . . ? C31 C40 C32 121.7(3) . . ? C31 C40 H40 119.1 . . ? C32 C40 H40 119.1 . . ? N1 C41 C13 123.3(3) . . ? N1 C41 H41 118.4 . . ? C13 C41 H41 118.4 . . ? C13 C42 C32 120.2(3) . . ? C13 C42 H42 119.9 . . ? C32 C42 H42 119.9 . . ? C17 C43 C18 120.9(3) . . ? C17 C43 H43 119.6 . . ? C18 C43 H43 119.6 . . ? C26 C44 C23 119.1(4) . . ? C26 C44 H44 120.5 . . ? C23 C44 H44 120.5 . . ? C9 C45 C27 121.4(3) . . ? C9 C45 H45 119.3 . . ? C27 C45 H45 119.3 . . ? O3 Dy1 O1 77.05(6) 2_666 . ? O3 Dy1 O2 75.86(6) 2_666 2_666 ? O1 Dy1 O2 129.81(5) . 2_666 ? O3 Dy1 O5 81.93(7) 2_666 . ? O1 Dy1 O5 81.71(6) . . ? O2 Dy1 O5 133.98(6) 2_666 . ? O3 Dy1 O4 124.18(6) 2_666 . ? O1 Dy1 O4 81.46(6) . . ? O2 Dy1 O4 80.03(6) 2_666 . ? O5 Dy1 O4 144.21(6) . . ? O3 Dy1 O6 82.38(6) 2_666 . ? O1 Dy1 O6 133.39(6) . . ? O2 Dy1 O6 83.11(6) 2_666 . ? O5 Dy1 O6 54.05(6) . . ? O4 Dy1 O6 142.98(6) . . ? O3 Dy1 N1 144.33(6) 2_666 . ? O1 Dy1 N1 76.82(6) . . ? O2 Dy1 N1 139.80(6) 2_666 . ? O5 Dy1 N1 70.64(7) . . ? O4 Dy1 N1 74.88(6) . . ? O6 Dy1 N1 98.56(6) . . ? O3 Dy1 N2 147.19(6) 2_666 . ? O1 Dy1 N2 135.68(6) . . ? O2 Dy1 N2 78.38(6) 2_666 . ? O5 Dy1 N2 102.25(7) . . ? O4 Dy1 N2 69.82(6) . . ? O6 Dy1 N2 74.63(6) . . ? N1 Dy1 N2 63.75(6) . . ? O3 Dy1 C3 80.37(7) 2_666 . ? O1 Dy1 C3 107.39(7) . . ? O2 Dy1 C3 108.65(7) 2_666 . ? O5 Dy1 C3 26.92(7) . . ? O4 Dy1 C3 155.44(6) . . ? O6 Dy1 C3 27.16(7) . . ? N1 Dy1 C3 84.74(7) . . ? N2 Dy1 C3 89.06(6) . . ? C41 N1 C19 117.9(2) . . ? C41 N1 Dy1 122.42(17) . . ? C19 N1 Dy1 119.59(16) . . ? C11 N2 C6 118.0(2) . . ? C11 N2 Dy1 122.80(15) . . ? C6 N2 Dy1 118.59(15) . . ? C2 O1 Dy1 144.69(14) . . ? C2 O2 Dy1 133.11(13) . 2_666 ? C1 O3 Dy1 169.38(16) . 2_666 ? C1 O4 Dy1 111.97(13) . . ? C3 O5 Dy1 95.22(15) . . ? C3 O6 Dy1 90.36(15) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O4 C1 C4 C24 130.4(2) . . . . ? O3 C1 C4 C24 -48.8(3) . . . . ? O4 C1 C4 C5 -48.6(3) . . . . ? O3 C1 C4 C5 132.2(2) . . . . ? C24 C4 C5 C20 176.0(2) . . . . ? C1 C4 C5 C20 -5.1(3) . . . . ? C24 C4 C5 C27 -1.8(3) . . . . ? C1 C4 C5 C27 177.2(2) . . . . ? C17 C7 C10 C29 176.4(2) . . . . ? C16 C7 C10 C29 -0.7(3) . . . . ? C17 C7 C10 C2 -3.9(4) . . . . ? C16 C7 C10 C2 178.9(2) . . . . ? O1 C2 C10 C29 -43.0(3) . . . . ? O2 C2 C10 C29 135.0(2) . . . . ? O1 C2 C10 C7 137.3(2) . . . . ? O2 C2 C10 C7 -44.7(3) . . . . ? O5 C3 C12 C36 19.8(3) . . . . ? O6 C3 C12 C36 -161.2(2) . . . . ? Dy1 C3 C12 C36 56.8(18) . . . . ? O5 C3 C12 C15 -155.9(2) . . . . ? O6 C3 C12 C15 23.1(4) . . . . ? Dy1 C3 C12 C15 -118.9(17) . . . . ? C36 C12 C15 C39 -179.3(2) . . . . ? C3 C12 C15 C39 -3.8(4) . . . . ? C36 C12 C15 C8 -2.4(4) . . . . ? C3 C12 C15 C8 173.1(2) . . . . ? C35 C8 C15 C39 179.7(3) . . . . ? C26 C8 C15 C39 1.4(4) . . . . ? C35 C8 C15 C12 2.6(4) . . . . ? C26 C8 C15 C12 -175.6(3) . . . . ? C17 C7 C16 C37 -177.0(2) . . . . ? C10 C7 C16 C37 0.4(3) . . . . ? C17 C7 C16 C34 2.5(4) . . . . ? C10 C7 C16 C34 179.9(2) . . . . ? C16 C7 C17 C43 -3.1(4) . . . . ? C10 C7 C17 C43 179.7(3) . . . . ? N2 C6 C19 N1 2.9(3) . . . . ? C21 C6 C19 N1 179.5(2) . . . . ? N2 C6 C19 C32 -175.1(2) . . . . ? C21 C6 C19 C32 1.5(3) . . . . ? C27 C5 C20 C33 -0.3(4) . . . . ? C4 C5 C20 C33 -178.0(2) . . . . ? N2 C6 C21 C22 1.2(4) . . . . ? C19 C6 C21 C22 -175.2(2) . . . . ? N2 C6 C21 C31 179.0(2) . . . . ? C19 C6 C21 C31 2.5(4) . . . . ? C6 C21 C22 C30 -0.1(4) . . . . ? C31 C21 C22 C30 -177.7(3) . . . . ? C5 C4 C24 C9 2.9(4) . . . . ? C1 C4 C24 C9 -176.1(2) . . . . ? C45 C9 C24 C4 -1.9(5) . . . . ? C35 C8 C26 C44 -178.9(3) . . . . ? C15 C8 C26 C44 -0.8(5) . . . . ? C20 C5 C27 C45 -178.0(2) . . . . ? C4 C5 C27 C45 -0.1(4) . . . . ? C20 C5 C27 C28 0.3(4) . . . . ? C4 C5 C27 C28 178.2(2) . . . . ? C33 C25 C28 C27 -0.6(6) . . . . ? C45 C27 C28 C25 178.4(3) . . . . ? C5 C27 C28 C25 0.1(5) . . . . ? C7 C10 C29 C14 1.1(4) . . . . ? C2 C10 C29 C14 -178.6(2) . . . . ? C37 C14 C29 C10 -1.1(5) . . . . ? C21 C22 C30 C11 -1.0(4) . . . . ? N2 C11 C30 C22 1.1(4) . . . . ? C22 C21 C31 C40 174.0(3) . . . . ? C6 C21 C31 C40 -3.5(4) . . . . ? N1 C19 C32 C42 -2.4(4) . . . . ? C6 C19 C32 C42 175.5(3) . . . . ? N1 C19 C32 C40 177.5(2) . . . . ? C6 C19 C32 C40 -4.6(4) . . . . ? C5 C20 C33 C25 -0.2(4) . . . . ? C28 C25 C33 C20 0.6(5) . . . . ? C43 C18 C34 C16 -2.6(5) . . . . ? C37 C16 C34 C18 179.8(3) . . . . ? C7 C16 C34 C18 0.3(4) . . . . ? C26 C8 C35 C38 177.3(3) . . . . ? C15 C8 C35 C38 -0.9(5) . . . . ? C15 C12 C36 C38 0.6(4) . . . . ? C3 C12 C36 C38 -175.3(3) . . . . ? C29 C14 C37 C16 0.7(5) . . . . ? C34 C16 C37 C14 -179.9(3) . . . . ? C7 C16 C37 C14 -0.4(4) . . . . ? C8 C35 C38 C36 -1.1(6) . . . . ? C12 C36 C38 C35 1.2(5) . . . . ? C44 C23 C39 C15 0.0(5) . . . . ? C12 C15 C39 C23 175.8(3) . . . . ? C8 C15 C39 C23 -1.1(4) . . . . ? C21 C31 C40 C32 0.4(5) . . . . ? C42 C32 C40 C31 -176.4(3) . . . . ? C19 C32 C40 C31 3.7(5) . . . . ? C42 C13 C41 N1 -1.5(5) . . . . ? C41 C13 C42 C32 2.3(5) . . . . ? C19 C32 C42 C13 -0.5(4) . . . . ? C40 C32 C42 C13 179.7(3) . . . . ? C7 C17 C43 C18 0.8(5) . . . . ? C34 C18 C43 C17 2.1(5) . . . . ? C8 C26 C44 C23 -0.4(6) . . . . ? C39 C23 C44 C26 0.8(6) . . . . ? C24 C9 C45 C27 -0.1(5) . . . . ? C28 C27 C45 C9 -177.2(3) . . . . ? C5 C27 C45 C9 1.1(5) . . . . ? O5 C3 Dy1 O3 91.12(16) . . . 2_666 ? O6 C3 Dy1 O3 -92.07(14) . . . 2_666 ? C12 C3 Dy1 O3 52.0(17) . . . 2_666 ? O5 C3 Dy1 O1 18.05(17) . . . . ? O6 C3 Dy1 O1 -165.14(13) . . . . ? C12 C3 Dy1 O1 -21.1(17) . . . . ? O5 C3 Dy1 O2 162.53(15) . . . 2_666 ? O6 C3 Dy1 O2 -20.66(15) . . . 2_666 ? C12 C3 Dy1 O2 123.4(17) . . . 2_666 ? O6 C3 Dy1 O5 176.8(2) . . . . ? C12 C3 Dy1 O5 -39.1(17) . . . . ? O5 C3 Dy1 O4 -90.1(2) . . . . ? O6 C3 Dy1 O4 86.7(2) . . . . ? C12 C3 Dy1 O4 -129.2(16) . . . . ? O5 C3 Dy1 O6 -176.8(2) . . . . ? C12 C3 Dy1 O6 144.1(18) . . . . ? O5 C3 Dy1 N1 -56.35(16) . . . . ? O6 C3 Dy1 N1 120.46(14) . . . . ? C12 C3 Dy1 N1 -95.5(17) . . . . ? O5 C3 Dy1 N2 -120.08(16) . . . . ? O6 C3 Dy1 N2 56.73(14) . . . . ? C12 C3 Dy1 N2 -159.2(17) . . . . ? C13 C41 N1 C19 -1.3(4) . . . . ? C13 C41 N1 Dy1 175.0(2) . . . . ? C32 C19 N1 C41 3.3(4) . . . . ? C6 C19 N1 C41 -174.7(2) . . . . ? C32 C19 N1 Dy1 -173.18(18) . . . . ? C6 C19 N1 Dy1 8.9(3) . . . . ? O3 Dy1 N1 C41 16.1(3) 2_666 . . . ? O1 Dy1 N1 C41 -27.8(2) . . . . ? O2 Dy1 N1 C41 -165.65(18) 2_666 . . . ? O5 Dy1 N1 C41 57.9(2) . . . . ? O4 Dy1 N1 C41 -112.4(2) . . . . ? O6 Dy1 N1 C41 104.9(2) . . . . ? N2 Dy1 N1 C41 173.0(2) . . . . ? C3 Dy1 N1 C41 81.5(2) . . . . ? O3 Dy1 N1 C19 -167.63(16) 2_666 . . . ? O1 Dy1 N1 C19 148.50(18) . . . . ? O2 Dy1 N1 C19 10.6(2) 2_666 . . . ? O5 Dy1 N1 C19 -125.79(19) . . . . ? O4 Dy1 N1 C19 63.93(17) . . . . ? O6 Dy1 N1 C19 -78.79(18) . . . . ? N2 Dy1 N1 C19 -10.69(16) . . . . ? C3 Dy1 N1 C19 -102.24(18) . . . . ? C30 C11 N2 C6 0.0(4) . . . . ? C30 C11 N2 Dy1 -171.1(2) . . . . ? C21 C6 N2 C11 -1.2(3) . . . . ? C19 C6 N2 C11 175.4(2) . . . . ? C21 C6 N2 Dy1 170.35(18) . . . . ? C19 C6 N2 Dy1 -13.1(3) . . . . ? O3 Dy1 N2 C11 -21.7(2) 2_666 . . . ? O1 Dy1 N2 C11 153.58(18) . . . . ? O2 Dy1 N2 C11 17.11(19) 2_666 . . . ? O5 Dy1 N2 C11 -115.79(19) . . . . ? O4 Dy1 N2 C11 100.64(19) . . . . ? O6 Dy1 N2 C11 -68.84(19) . . . . ? N1 Dy1 N2 C11 -176.8(2) . . . . ? C3 Dy1 N2 C11 -92.15(19) . . . . ? O3 Dy1 N2 C6 167.23(15) 2_666 . . . ? O1 Dy1 N2 C6 -17.5(2) . . . . ? O2 Dy1 N2 C6 -153.97(17) 2_666 . . . ? O5 Dy1 N2 C6 73.12(16) . . . . ? O4 Dy1 N2 C6 -70.45(16) . . . . ? O6 Dy1 N2 C6 120.07(17) . . . . ? N1 Dy1 N2 C6 12.16(15) . . . . ? C3 Dy1 N2 C6 96.76(17) . . . . ? O2 C2 O1 Dy1 -10.5(4) . . . . ? C10 C2 O1 Dy1 167.32(18) . . . . ? O3 Dy1 O1 C2 41.9(3) 2_666 . . . ? O2 Dy1 O1 C2 -16.9(3) 2_666 . . . ? O5 Dy1 O1 C2 125.5(3) . . . . ? O4 Dy1 O1 C2 -86.2(3) . . . . ? O6 Dy1 O1 C2 108.1(3) . . . . ? N1 Dy1 O1 C2 -162.5(3) . . . . ? N2 Dy1 O1 C2 -135.4(2) . . . . ? C3 Dy1 O1 C2 117.4(3) . . . . ? O1 C2 O2 Dy1 32.8(3) . . . 2_666 ? C10 C2 O2 Dy1 -144.93(16) . . . 2_666 ? O4 C1 O3 Dy1 100.6(9) . . . 2_666 ? C4 C1 O3 Dy1 -80.2(10) . . . 2_666 ? O3 C1 O4 Dy1 -11.3(3) . . . . ? C4 C1 O4 Dy1 169.58(16) . . . . ? O3 Dy1 O4 C1 -1.30(18) 2_666 . . . ? O1 Dy1 O4 C1 66.62(15) . . . . ? O2 Dy1 O4 C1 -66.51(15) 2_666 . . . ? O5 Dy1 O4 C1 129.38(16) . . . . ? O6 Dy1 O4 C1 -130.69(15) . . . . ? N1 Dy1 O4 C1 145.19(16) . . . . ? N2 Dy1 O4 C1 -147.69(17) . . . . ? C3 Dy1 O4 C1 -179.88(17) . . . . ? O6 C3 O5 Dy1 -3.3(2) . . . . ? C12 C3 O5 Dy1 175.68(18) . . . . ? O3 Dy1 O5 C3 -84.62(16) 2_666 . . . ? O1 Dy1 O5 C3 -162.61(16) . . . . ? O2 Dy1 O5 C3 -23.3(2) 2_666 . . . ? O4 Dy1 O5 C3 134.70(14) . . . . ? O6 Dy1 O5 C3 1.80(14) . . . . ? N1 Dy1 O5 C3 118.52(17) . . . . ? N2 Dy1 O5 C3 62.30(16) . . . . ? O5 C3 O6 Dy1 3.1(2) . . . . ? C12 C3 O6 Dy1 -175.8(2) . . . . ? O3 Dy1 O6 C3 83.74(14) 2_666 . . . ? O1 Dy1 O6 C3 19.69(17) . . . . ? O2 Dy1 O6 C3 160.32(14) 2_666 . . . ? O5 Dy1 O6 C3 -1.78(13) . . . . ? O4 Dy1 O6 C3 -136.43(14) . . . . ? N1 Dy1 O6 C3 -60.23(14) . . . . ? N2 Dy1 O6 C3 -119.89(14) . . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.329 _refine_diff_density_min -0.306 _refine_diff_density_rms 0.051 # Attachment '2a.cif' data_2 _database_code_depnum_ccdc_archive 'CCDC 845009' #TrackingRef '2a.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C90 H58 Dy2 N4 O12' _chemical_formula_weight 1712.40 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' O O 0.0106 0.0060 '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' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 12.1869(3) _cell_length_b 12.7681(3) _cell_length_c 13.1020(4) _cell_angle_alpha 88.617(2) _cell_angle_beta 62.3220(10) _cell_angle_gamma 80.683(2) _cell_volume 1778.57(8) _cell_formula_units_Z 1 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 9075 _cell_measurement_theta_min 2.46 _cell_measurement_theta_max 23.55 _exptl_crystal_description Block _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.599 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 854 _exptl_absorpt_coefficient_mu 2.156 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.6724 _exptl_absorpt_correction_T_max 0.7381 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23536 _diffrn_reflns_av_R_equivalents 0.0337 _diffrn_reflns_av_sigmaI/netI 0.0308 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.62 _diffrn_reflns_theta_max 24.99 _reflns_number_total 6263 _reflns_number_gt 5671 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0229P)^2^+0.1719P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6263 _refine_ls_number_parameters 487 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0252 _refine_ls_R_factor_gt 0.0212 _refine_ls_wR_factor_ref 0.0487 _refine_ls_wR_factor_gt 0.0476 _refine_ls_goodness_of_fit_ref 1.063 _refine_ls_restrained_S_all 1.063 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 C1 C 0.6462(3) -0.1317(2) 0.3270(2) 0.0356(6) Uani 1 1 d . . . C2 C 0.4034(3) 0.1005(2) 0.3718(2) 0.0342(6) Uani 1 1 d . . . C3 C 0.6674(3) 0.2697(2) 0.5148(3) 0.0416(7) Uani 1 1 d . . . C4 C 0.6852(2) -0.2385(2) 0.2643(2) 0.0344(6) Uani 1 1 d . . . C5 C 0.9633(3) 0.0469(2) 0.2266(2) 0.0408(7) Uani 1 1 d . . . C6 C 0.7999(2) -0.3048(2) 0.2450(2) 0.0368(6) Uani 1 1 d . . . C7 C 0.2531(3) 0.1881(2) 0.2932(2) 0.0362(6) Uani 1 1 d . . . C8 C 0.3740(2) 0.1345(2) 0.2746(2) 0.0346(6) Uani 1 1 d . . . C9 C 0.6468(3) -0.3674(3) 0.1582(3) 0.0631(10) Uani 1 1 d . . . H9 H 0.5963 -0.3872 0.1289 0.076 Uiso 1 1 calc R . . C10 C 0.6656(3) 0.3953(2) 0.6676(3) 0.0469(8) Uani 1 1 d . . . C11 C 0.6457(3) 0.5025(3) 0.7088(4) 0.0637(10) Uani 1 1 d . . . C12 C 0.6631(3) 0.3776(2) 0.5616(3) 0.0454(7) Uani 1 1 d . . . C13 C 0.4504(3) 0.1376(3) 0.0689(3) 0.0598(9) Uani 1 1 d . . . H13 H 0.5161 0.1201 -0.0053 0.072 Uiso 1 1 calc R . . C14 C 0.9498(3) -0.0251(2) 0.3925(3) 0.0466(7) Uani 1 1 d . . . H14 H 0.9018 -0.0369 0.4700 0.056 Uiso 1 1 calc R . . C15 C 1.1069(4) 0.0937(3) -0.0042(3) 0.0738(12) Uani 1 1 d . . . H15 H 1.1544 0.1083 -0.0808 0.089 Uiso 1 1 calc R . . C16 C 0.0218(4) 0.2933(3) 0.3167(4) 0.0707(11) Uani 1 1 d . . . H16 H -0.0563 0.3261 0.3255 0.085 Uiso 1 1 calc R . . C17 C 0.7251(3) 0.2175(3) 0.1835(3) 0.0591(9) Uani 1 1 d . . . H17 H 0.6397 0.2442 0.2258 0.071 Uiso 1 1 calc R . . C18 C 0.2359(3) 0.2146(2) 0.1946(3) 0.0443(7) Uani 1 1 d . . . C19 C 0.9149(4) 0.2104(3) 0.0087(3) 0.0769(12) Uani 1 1 d . . . H19 H 0.9589 0.2300 -0.0667 0.092 Uiso 1 1 calc R . . C20 C 0.1515(3) 0.2203(2) 0.4027(3) 0.0493(8) Uani 1 1 d . . . H20 H 0.1615 0.2069 0.4683 0.059 Uiso 1 1 calc R . . C21 C 1.0185(4) -0.4448(3) 0.2078(4) 0.0781(12) Uani 1 1 d . . . H21 H 1.0919 -0.4906 0.1948 0.094 Uiso 1 1 calc R . . C22 C 0.6108(3) -0.2707(2) 0.2235(3) 0.0483(8) Uani 1 1 d . . . H22 H 0.5348 -0.2278 0.2393 0.058 Uiso 1 1 calc R . . C23 C 0.8780(3) -0.2799(2) 0.2904(3) 0.0479(8) Uani 1 1 d . . . H23 H 0.8567 -0.2159 0.3328 0.058 Uiso 1 1 calc R . . C24 C 0.0383(3) 0.2709(3) 0.4144(3) 0.0670(10) Uani 1 1 d . . . H24 H -0.0283 0.2906 0.4876 0.080 Uiso 1 1 calc R . . C25 C 0.8343(3) -0.4031(2) 0.1808(3) 0.0520(8) Uani 1 1 d . . . C26 C 1.0939(3) 0.0069(3) 0.1660(3) 0.0546(9) Uani 1 1 d . . . C27 C 0.7905(4) 0.2509(3) 0.0727(3) 0.0724(11) Uani 1 1 d . . . H27 H 0.7499 0.3002 0.0427 0.087 Uiso 1 1 calc R . . C28 C 0.6745(4) 0.3376(3) 0.8412(4) 0.0739(11) Uani 1 1 d . . . H28 H 0.6844 0.2826 0.8857 0.089 Uiso 1 1 calc R . . C29 C 0.9034(3) 0.1124(2) 0.1702(2) 0.0434(7) Uani 1 1 d . . . C30 C 0.6806(3) 0.3144(3) 0.7377(3) 0.0521(8) Uani 1 1 d . . . H30 H 0.6951 0.2437 0.7125 0.062 Uiso 1 1 calc R . . C31 C 0.9463(4) -0.4714(3) 0.1642(4) 0.0730(11) Uani 1 1 d . . . H31 H 0.9700 -0.5359 0.1220 0.088 Uiso 1 1 calc R . . C32 C 0.1180(4) 0.2677(3) 0.2102(4) 0.0617(10) Uani 1 1 d . . . H32 H 0.1066 0.2853 0.1461 0.074 Uiso 1 1 calc R . . C33 C 0.6306(4) 0.5676(3) 0.5401(4) 0.0825(13) Uani 1 1 d . . . H33 H 0.6210 0.6239 0.4970 0.099 Uiso 1 1 calc R . . C34 C 1.0787(3) -0.0659(3) 0.3399(3) 0.0585(9) Uani 1 1 d . . . H34 H 1.1151 -0.1032 0.3816 0.070 Uiso 1 1 calc R . . C35 C 0.9762(3) 0.1396(3) 0.0557(3) 0.0579(9) Uani 1 1 d . . . C36 C 0.4694(3) 0.1111(2) 0.1648(2) 0.0475(8) Uani 1 1 d . . . H36 H 0.5480 0.0771 0.1534 0.057 Uiso 1 1 calc R . . C37 C 1.1618(3) 0.0305(3) 0.0474(3) 0.0725(11) Uani 1 1 d . . . H37 H 1.2463 0.0010 0.0054 0.087 Uiso 1 1 calc R . . C38 C 1.1489(3) -0.0500(3) 0.2270(4) 0.0672(10) Uani 1 1 d . . . H38 H 1.2345 -0.0773 0.1900 0.081 Uiso 1 1 calc R . . C39 C 0.9843(3) -0.3486(3) 0.2730(3) 0.0646(10) Uani 1 1 d . . . H39 H 1.0341 -0.3316 0.3044 0.077 Uiso 1 1 calc R . . C40 C 0.3377(3) 0.1884(3) 0.0837(3) 0.0581(9) Uani 1 1 d . . . H40 H 0.3270 0.2064 0.0193 0.070 Uiso 1 1 calc R . . C41 C 0.6297(4) 0.5861(3) 0.6421(4) 0.0820(13) Uani 1 1 d . . . H41 H 0.6182 0.6559 0.6687 0.098 Uiso 1 1 calc R . . C42 C 0.6533(4) 0.4432(4) 0.8814(4) 0.0880(14) Uani 1 1 d . . . H42 H 0.6487 0.4582 0.9526 0.106 Uiso 1 1 calc R . . C43 C 0.6464(3) 0.4621(2) 0.5007(3) 0.0645(10) Uani 1 1 d . . . H43 H 0.6455 0.4493 0.4315 0.077 Uiso 1 1 calc R . . C44 C 0.6398(4) 0.5227(3) 0.8172(4) 0.0851(14) Uani 1 1 d . . . H44 H 0.6263 0.5926 0.8444 0.102 Uiso 1 1 calc R . . C45 C 0.7557(3) -0.4315(3) 0.1382(3) 0.0661(10) Uani 1 1 d . . . H45 H 0.7789 -0.4957 0.0954 0.079 Uiso 1 1 calc R . . Dy1 Dy 0.652304(11) 0.079753(9) 0.429440(10) 0.02863(5) Uani 1 1 d . . . N1 N 0.8928(2) 0.02895(17) 0.33912(19) 0.0363(5) Uani 1 1 d . . . N2 N 0.7784(2) 0.14976(19) 0.2317(2) 0.0428(6) Uani 1 1 d . . . O1 O 0.72435(18) -0.06968(14) 0.29659(16) 0.0422(5) Uani 1 1 d . . . O2 O 0.50691(17) 0.11700(15) 0.36022(16) 0.0424(5) Uani 1 1 d . . . O3 O 0.32541(16) 0.05593(14) 0.45418(15) 0.0385(4) Uani 1 1 d . . . O4 O 0.53558(18) -0.10618(16) 0.40596(16) 0.0490(5) Uani 1 1 d . . . O5 O 0.6220(2) 0.26632(16) 0.44615(19) 0.0600(6) Uani 1 1 d . . . O6 O 0.71342(19) 0.18473(15) 0.54250(18) 0.0475(5) Uani 1 1 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 C1 0.0352(16) 0.0424(16) 0.0238(14) -0.0012(12) -0.0115(13) 0.0010(13) C2 0.0343(16) 0.0297(14) 0.0351(16) -0.0012(12) -0.0151(13) 0.0007(12) C3 0.0399(17) 0.0349(16) 0.0422(17) -0.0016(13) -0.0120(15) -0.0080(13) C4 0.0296(14) 0.0378(15) 0.0267(14) -0.0019(11) -0.0052(12) -0.0067(12) C5 0.0340(16) 0.0431(16) 0.0368(17) -0.0091(13) -0.0058(14) -0.0164(13) C6 0.0347(15) 0.0358(15) 0.0329(15) 0.0039(12) -0.0099(13) -0.0067(12) C7 0.0401(16) 0.0321(14) 0.0446(17) 0.0076(12) -0.0257(14) -0.0098(12) C8 0.0366(15) 0.0356(14) 0.0330(15) 0.0056(11) -0.0165(13) -0.0101(12) C9 0.058(2) 0.067(2) 0.069(2) -0.0179(19) -0.031(2) -0.0148(18) C10 0.0287(15) 0.0421(17) 0.064(2) -0.0156(15) -0.0158(15) -0.0060(12) C11 0.048(2) 0.047(2) 0.091(3) -0.0205(19) -0.028(2) -0.0081(15) C12 0.0396(17) 0.0325(15) 0.058(2) -0.0030(14) -0.0162(15) -0.0089(13) C13 0.061(2) 0.079(2) 0.0334(18) 0.0020(16) -0.0166(17) -0.0153(19) C14 0.0350(16) 0.0531(18) 0.0512(19) -0.0035(15) -0.0201(15) -0.0051(14) C15 0.068(3) 0.097(3) 0.034(2) -0.0078(19) 0.0058(19) -0.047(2) C16 0.057(2) 0.069(2) 0.096(3) 0.014(2) -0.050(2) 0.0041(19) C17 0.068(2) 0.062(2) 0.059(2) 0.0238(17) -0.0344(19) -0.0281(18) C18 0.0562(19) 0.0383(16) 0.054(2) 0.0122(14) -0.0360(17) -0.0166(14) C19 0.109(4) 0.097(3) 0.042(2) 0.027(2) -0.035(2) -0.068(3) C20 0.0439(18) 0.0514(18) 0.0474(19) 0.0069(14) -0.0198(16) 0.0006(14) C21 0.059(2) 0.060(2) 0.105(3) 0.001(2) -0.038(2) 0.0158(19) C22 0.0364(17) 0.0556(19) 0.0480(19) -0.0090(15) -0.0155(15) -0.0062(14) C23 0.0476(18) 0.0482(18) 0.0463(18) 0.0041(14) -0.0215(16) -0.0051(14) C24 0.044(2) 0.073(2) 0.070(2) 0.0092(19) -0.0208(19) 0.0083(17) C25 0.0480(19) 0.0380(17) 0.061(2) -0.0023(15) -0.0193(17) -0.0033(14) C26 0.0340(17) 0.058(2) 0.051(2) -0.0187(16) 0.0001(16) -0.0157(15) C27 0.100(3) 0.079(3) 0.065(3) 0.037(2) -0.053(3) -0.047(2) C28 0.075(3) 0.078(3) 0.082(3) -0.017(2) -0.051(2) -0.003(2) C29 0.0468(18) 0.0512(18) 0.0294(15) 0.0015(13) -0.0097(14) -0.0267(14) C30 0.0438(18) 0.0531(19) 0.065(2) -0.0172(16) -0.0322(17) 0.0000(14) C31 0.066(2) 0.044(2) 0.095(3) -0.0119(19) -0.032(2) 0.0127(17) C32 0.076(3) 0.054(2) 0.083(3) 0.0171(19) -0.061(2) -0.0109(18) C33 0.092(3) 0.039(2) 0.114(4) 0.012(2) -0.044(3) -0.0196(19) C34 0.0373(18) 0.060(2) 0.073(3) -0.0053(18) -0.0243(19) -0.0002(15) C35 0.068(2) 0.070(2) 0.0338(18) 0.0047(16) -0.0132(17) -0.0415(19) C36 0.0400(17) 0.060(2) 0.0384(17) 0.0031(14) -0.0153(15) -0.0081(14) C37 0.047(2) 0.084(3) 0.053(2) -0.023(2) 0.0099(19) -0.026(2) C38 0.0326(18) 0.062(2) 0.088(3) -0.021(2) -0.014(2) -0.0005(16) C39 0.054(2) 0.073(2) 0.072(2) 0.011(2) -0.037(2) -0.0034(18) C40 0.076(3) 0.070(2) 0.044(2) 0.0141(16) -0.038(2) -0.0223(19) C41 0.081(3) 0.039(2) 0.121(4) -0.016(2) -0.041(3) -0.0148(19) C42 0.082(3) 0.101(4) 0.091(3) -0.041(3) -0.051(3) -0.004(3) C43 0.075(3) 0.0440(19) 0.073(2) 0.0057(17) -0.031(2) -0.0178(17) C44 0.077(3) 0.070(3) 0.113(4) -0.044(3) -0.047(3) -0.008(2) C45 0.067(2) 0.0462(19) 0.076(3) -0.0234(17) -0.026(2) -0.0043(17) Dy1 0.02534(7) 0.03104(7) 0.02507(7) 0.00042(5) -0.00887(5) -0.00210(5) N1 0.0285(12) 0.0418(13) 0.0342(13) -0.0038(10) -0.0099(11) -0.0081(10) N2 0.0461(15) 0.0485(14) 0.0372(14) 0.0128(11) -0.0190(12) -0.0202(12) O1 0.0404(11) 0.0368(11) 0.0408(11) -0.0062(9) -0.0116(10) -0.0061(9) O2 0.0354(11) 0.0512(12) 0.0467(12) 0.0112(9) -0.0234(10) -0.0117(9) O3 0.0310(10) 0.0447(11) 0.0358(11) 0.0103(9) -0.0134(9) -0.0038(8) O4 0.0332(11) 0.0554(12) 0.0349(11) -0.0030(9) -0.0002(10) 0.0051(9) O5 0.0985(18) 0.0392(12) 0.0571(14) 0.0024(10) -0.0499(14) -0.0077(11) O6 0.0490(12) 0.0361(11) 0.0616(14) -0.0079(9) -0.0320(11) 0.0028(9) _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 C1 O1 1.253(3) . ? C1 O4 1.254(3) . ? C1 C4 1.497(4) . ? C2 O2 1.251(3) . ? C2 O3 1.259(3) . ? C2 C8 1.511(4) . ? C3 O5 1.260(3) . ? C3 O6 1.264(3) . ? C3 C12 1.505(4) . ? C3 Dy1 2.763(3) . ? C4 C22 1.363(4) . ? C4 C6 1.426(4) . ? C5 N1 1.355(3) . ? C5 C26 1.416(4) . ? C5 C29 1.433(4) . ? C6 C23 1.412(4) . ? C6 C25 1.418(4) . ? C7 C20 1.405(4) . ? C7 C18 1.427(4) . ? C7 C8 1.430(4) . ? C8 C36 1.366(4) . ? C9 C45 1.354(5) . ? C9 C22 1.406(4) . ? C9 H9 0.9300 . ? C10 C30 1.412(4) . ? C10 C11 1.425(4) . ? C10 C12 1.428(4) . ? C11 C41 1.410(6) . ? C11 C44 1.416(6) . ? C12 C43 1.371(4) . ? C13 C40 1.347(5) . ? C13 C36 1.404(4) . ? C13 H13 0.9300 . ? C14 N1 1.313(4) . ? C14 C34 1.400(4) . ? C14 H14 0.9300 . ? C15 C37 1.332(5) . ? C15 C35 1.433(5) . ? C15 H15 0.9300 . ? C16 C32 1.344(5) . ? C16 C24 1.402(5) . ? C16 H16 0.9300 . ? C17 N2 1.319(4) . ? C17 C27 1.389(5) . ? C17 H17 0.9300 . ? C18 C40 1.406(4) . ? C18 C32 1.409(4) . ? C19 C27 1.362(6) . ? C19 C35 1.392(5) . ? C19 H19 0.9300 . ? C20 C24 1.366(4) . ? C20 H20 0.9300 . ? C21 C31 1.337(5) . ? C21 C39 1.402(5) . ? C21 H21 0.9300 . ? C22 H22 0.9300 . ? C23 C39 1.367(4) . ? C23 H23 0.9300 . ? C24 H24 0.9300 . ? C25 C45 1.408(5) . ? C25 C31 1.420(4) . ? C26 C38 1.388(5) . ? C26 C37 1.433(5) . ? C27 H27 0.9300 . ? C28 C30 1.359(5) . ? C28 C42 1.400(5) . ? C28 H28 0.9300 . ? C29 N2 1.357(4) . ? C29 C35 1.412(4) . ? C30 H30 0.9300 . ? C31 H31 0.9300 . ? C32 H32 0.9300 . ? C33 C41 1.357(6) . ? C33 C43 1.406(5) . ? C33 H33 0.9300 . ? C34 C38 1.352(5) . ? C34 H34 0.9300 . ? C36 H36 0.9300 . ? C37 H37 0.9300 . ? C38 H38 0.9300 . ? C39 H39 0.9300 . ? C40 H40 0.9300 . ? C41 H41 0.9300 . ? C42 C44 1.341(6) . ? C42 H42 0.9300 . ? C43 H43 0.9300 . ? C44 H44 0.9300 . ? C45 H45 0.9300 . ? Dy1 O4 2.2815(18) 2_656 ? Dy1 O2 2.3211(18) . ? Dy1 O3 2.3463(17) 2_656 ? Dy1 O5 2.350(2) . ? Dy1 O1 2.3747(18) . ? Dy1 O6 2.4473(19) . ? Dy1 N2 2.551(2) . ? Dy1 N1 2.571(2) . ? O3 Dy1 2.3463(17) 2_656 ? O4 Dy1 2.2815(18) 2_656 ? 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 O1 C1 O4 122.2(3) . . ? O1 C1 C4 118.8(2) . . ? O4 C1 C4 119.0(3) . . ? O2 C2 O3 125.9(2) . . ? O2 C2 C8 115.7(2) . . ? O3 C2 C8 118.3(2) . . ? O5 C3 O6 120.2(3) . . ? O5 C3 C12 117.3(3) . . ? O6 C3 C12 122.4(3) . . ? O5 C3 Dy1 57.94(14) . . ? O6 C3 Dy1 62.36(14) . . ? C12 C3 Dy1 174.2(2) . . ? C22 C4 C6 120.2(3) . . ? C22 C4 C1 119.0(2) . . ? C6 C4 C1 120.7(2) . . ? N1 C5 C26 122.0(3) . . ? N1 C5 C29 118.1(2) . . ? C26 C5 C29 119.9(3) . . ? C23 C6 C25 118.4(3) . . ? C23 C6 C4 123.5(3) . . ? C25 C6 C4 118.1(3) . . ? C20 C7 C18 117.8(3) . . ? C20 C7 C8 124.0(2) . . ? C18 C7 C8 118.2(3) . . ? C36 C8 C7 120.0(2) . . ? C36 C8 C2 116.8(2) . . ? C7 C8 C2 123.2(2) . . ? C45 C9 C22 119.5(3) . . ? C45 C9 H9 120.2 . . ? C22 C9 H9 120.2 . . ? C30 C10 C11 117.2(3) . . ? C30 C10 C12 124.9(3) . . ? C11 C10 C12 117.8(3) . . ? C41 C11 C44 121.4(4) . . ? C41 C11 C10 119.4(4) . . ? C44 C11 C10 119.2(4) . . ? C43 C12 C10 120.2(3) . . ? C43 C12 C3 116.0(3) . . ? C10 C12 C3 123.6(3) . . ? C40 C13 C36 120.4(3) . . ? C40 C13 H13 119.8 . . ? C36 C13 H13 119.8 . . ? N1 C14 C34 123.9(3) . . ? N1 C14 H14 118.0 . . ? C34 C14 H14 118.0 . . ? C37 C15 C35 121.5(3) . . ? C37 C15 H15 119.2 . . ? C35 C15 H15 119.2 . . ? C32 C16 C24 120.5(3) . . ? C32 C16 H16 119.8 . . ? C24 C16 H16 119.8 . . ? N2 C17 C27 123.2(4) . . ? N2 C17 H17 118.4 . . ? C27 C17 H17 118.4 . . ? C40 C18 C32 121.4(3) . . ? C40 C18 C7 119.2(3) . . ? C32 C18 C7 119.5(3) . . ? C27 C19 C35 120.1(3) . . ? C27 C19 H19 119.9 . . ? C35 C19 H19 119.9 . . ? C24 C20 C7 121.0(3) . . ? C24 C20 H20 119.5 . . ? C7 C20 H20 119.5 . . ? C31 C21 C39 120.6(3) . . ? C31 C21 H21 119.7 . . ? C39 C21 H21 119.7 . . ? C4 C22 C9 121.3(3) . . ? C4 C22 H22 119.4 . . ? C9 C22 H22 119.4 . . ? C39 C23 C6 121.0(3) . . ? C39 C23 H23 119.5 . . ? C6 C23 H23 119.5 . . ? C20 C24 C16 120.4(3) . . ? C20 C24 H24 119.8 . . ? C16 C24 H24 119.8 . . ? C45 C25 C6 119.5(3) . . ? C45 C25 C31 121.9(3) . . ? C6 C25 C31 118.5(3) . . ? C38 C26 C5 117.5(3) . . ? C38 C26 C37 124.1(3) . . ? C5 C26 C37 118.4(4) . . ? C19 C27 C17 119.1(4) . . ? C19 C27 H27 120.5 . . ? C17 C27 H27 120.5 . . ? C30 C28 C42 120.7(4) . . ? C30 C28 H28 119.6 . . ? C42 C28 H28 119.6 . . ? N2 C29 C35 122.5(3) . . ? N2 C29 C5 117.9(2) . . ? C35 C29 C5 119.5(3) . . ? C28 C30 C10 121.5(3) . . ? C28 C30 H30 119.2 . . ? C10 C30 H30 119.2 . . ? C21 C31 C25 121.4(3) . . ? C21 C31 H31 119.3 . . ? C25 C31 H31 119.3 . . ? C16 C32 C18 120.8(3) . . ? C16 C32 H32 119.6 . . ? C18 C32 H32 119.6 . . ? C41 C33 C43 119.0(4) . . ? C41 C33 H33 120.5 . . ? C43 C33 H33 120.5 . . ? C38 C34 C14 118.4(3) . . ? C38 C34 H34 120.8 . . ? C14 C34 H34 120.8 . . ? C19 C35 C29 116.9(3) . . ? C19 C35 C15 124.3(3) . . ? C29 C35 C15 118.8(4) . . ? C8 C36 C13 121.0(3) . . ? C8 C36 H36 119.5 . . ? C13 C36 H36 119.5 . . ? C15 C37 C26 121.7(3) . . ? C15 C37 H37 119.1 . . ? C26 C37 H37 119.1 . . ? C34 C38 C26 120.3(3) . . ? C34 C38 H38 119.8 . . ? C26 C38 H38 119.8 . . ? C23 C39 C21 120.1(3) . . ? C23 C39 H39 119.9 . . ? C21 C39 H39 119.9 . . ? C13 C40 C18 121.3(3) . . ? C13 C40 H40 119.3 . . ? C18 C40 H40 119.3 . . ? C33 C41 C11 121.9(3) . . ? C33 C41 H41 119.1 . . ? C11 C41 H41 119.1 . . ? C44 C42 C28 119.9(4) . . ? C44 C42 H42 120.1 . . ? C28 C42 H42 120.1 . . ? C12 C43 C33 121.7(4) . . ? C12 C43 H43 119.2 . . ? C33 C43 H43 119.2 . . ? C42 C44 C11 121.4(4) . . ? C42 C44 H44 119.3 . . ? C11 C44 H44 119.3 . . ? C9 C45 C25 121.4(3) . . ? C9 C45 H45 119.3 . . ? C25 C45 H45 119.3 . . ? O4 Dy1 O2 76.95(7) 2_656 . ? O4 Dy1 O3 75.82(6) 2_656 2_656 ? O2 Dy1 O3 129.77(6) . 2_656 ? O4 Dy1 O5 82.05(8) 2_656 . ? O2 Dy1 O5 81.54(7) . . ? O3 Dy1 O5 134.14(7) 2_656 . ? O4 Dy1 O1 124.07(7) 2_656 . ? O2 Dy1 O1 81.50(7) . . ? O3 Dy1 O1 80.03(6) 2_656 . ? O5 Dy1 O1 144.08(7) . . ? O4 Dy1 O6 82.41(7) 2_656 . ? O2 Dy1 O6 133.33(6) . . ? O3 Dy1 O6 83.09(7) 2_656 . ? O5 Dy1 O6 54.22(7) . . ? O1 Dy1 O6 143.04(7) . . ? O4 Dy1 N2 144.38(7) 2_656 . ? O2 Dy1 N2 76.82(7) . . ? O3 Dy1 N2 139.80(7) 2_656 . ? O5 Dy1 N2 70.61(8) . . ? O1 Dy1 N2 74.80(7) . . ? O6 Dy1 N2 98.71(7) . . ? O4 Dy1 N1 147.19(7) 2_656 . ? O2 Dy1 N1 135.77(7) . . ? O3 Dy1 N1 78.36(7) 2_656 . ? O5 Dy1 N1 102.31(8) . . ? O1 Dy1 N1 69.85(7) . . ? O6 Dy1 N1 74.67(7) . . ? N2 Dy1 N1 63.80(7) . . ? O4 Dy1 C3 80.41(8) 2_656 . ? O2 Dy1 C3 107.29(8) . . ? O3 Dy1 C3 108.70(8) 2_656 . ? O5 Dy1 C3 27.02(7) . . ? O1 Dy1 C3 155.51(8) . . ? O6 Dy1 C3 27.23(7) . . ? N2 Dy1 C3 84.85(8) . . ? N1 Dy1 C3 89.13(8) . . ? C14 N1 C5 117.8(2) . . ? C14 N1 Dy1 122.98(19) . . ? C5 N1 Dy1 118.66(18) . . ? C17 N2 C29 118.1(3) . . ? C17 N2 Dy1 122.3(2) . . ? C29 N2 Dy1 119.58(18) . . ? C1 O1 Dy1 111.92(16) . . ? C2 O2 Dy1 144.82(17) . . ? C2 O3 Dy1 132.94(16) . 2_656 ? C1 O4 Dy1 169.01(18) . 2_656 ? C3 O5 Dy1 95.05(16) . . ? C3 O6 Dy1 90.42(17) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O1 C1 C4 C22 -129.5(3) . . . . ? O4 C1 C4 C22 48.7(4) . . . . ? O1 C1 C4 C6 49.0(4) . . . . ? O4 C1 C4 C6 -132.8(3) . . . . ? C22 C4 C6 C23 -176.0(3) . . . . ? C1 C4 C6 C23 5.5(4) . . . . ? C22 C4 C6 C25 1.1(4) . . . . ? C1 C4 C6 C25 -177.4(3) . . . . ? C20 C7 C8 C36 -176.5(3) . . . . ? C18 C7 C8 C36 0.7(4) . . . . ? C20 C7 C8 C2 3.9(4) . . . . ? C18 C7 C8 C2 -178.9(2) . . . . ? O2 C2 C8 C36 43.1(3) . . . . ? O3 C2 C8 C36 -134.8(3) . . . . ? O2 C2 C8 C7 -137.3(3) . . . . ? O3 C2 C8 C7 44.8(4) . . . . ? C30 C10 C11 C41 -179.8(3) . . . . ? C12 C10 C11 C41 -2.6(5) . . . . ? C30 C10 C11 C44 -1.1(5) . . . . ? C12 C10 C11 C44 176.1(3) . . . . ? C30 C10 C12 C43 179.2(3) . . . . ? C11 C10 C12 C43 2.2(4) . . . . ? C30 C10 C12 C3 4.4(5) . . . . ? C11 C10 C12 C3 -172.6(3) . . . . ? O5 C3 C12 C43 -19.1(4) . . . . ? O6 C3 C12 C43 161.3(3) . . . . ? Dy1 C3 C12 C43 -54(2) . . . . ? O5 C3 C12 C10 155.9(3) . . . . ? O6 C3 C12 C10 -23.7(4) . . . . ? Dy1 C3 C12 C10 121(2) . . . . ? C20 C7 C18 C40 176.8(3) . . . . ? C8 C7 C18 C40 -0.6(4) . . . . ? C20 C7 C18 C32 -2.4(4) . . . . ? C8 C7 C18 C32 -179.8(3) . . . . ? C18 C7 C20 C24 3.0(5) . . . . ? C8 C7 C20 C24 -179.8(3) . . . . ? C6 C4 C22 C9 -2.4(5) . . . . ? C1 C4 C22 C9 176.2(3) . . . . ? C45 C9 C22 C4 2.0(5) . . . . ? C25 C6 C23 C39 0.2(4) . . . . ? C4 C6 C23 C39 177.3(3) . . . . ? C7 C20 C24 C16 -1.1(5) . . . . ? C32 C16 C24 C20 -1.7(6) . . . . ? C23 C6 C25 C45 177.7(3) . . . . ? C4 C6 C25 C45 0.4(4) . . . . ? C23 C6 C25 C31 -0.7(4) . . . . ? C4 C6 C25 C31 -178.0(3) . . . . ? N1 C5 C26 C38 -1.4(4) . . . . ? C29 C5 C26 C38 175.6(3) . . . . ? N1 C5 C26 C37 -179.3(3) . . . . ? C29 C5 C26 C37 -2.3(4) . . . . ? C35 C19 C27 C17 -2.4(6) . . . . ? N2 C17 C27 C19 1.7(6) . . . . ? N1 C5 C29 N2 -2.3(4) . . . . ? C26 C5 C29 N2 -179.4(3) . . . . ? N1 C5 C29 C35 175.0(3) . . . . ? C26 C5 C29 C35 -2.2(4) . . . . ? C42 C28 C30 C10 -0.3(5) . . . . ? C11 C10 C30 C28 1.0(5) . . . . ? C12 C10 C30 C28 -176.0(3) . . . . ? C39 C21 C31 C25 0.8(6) . . . . ? C45 C25 C31 C21 -178.1(4) . . . . ? C6 C25 C31 C21 0.3(6) . . . . ? C24 C16 C32 C18 2.3(6) . . . . ? C40 C18 C32 C16 -179.4(3) . . . . ? C7 C18 C32 C16 -0.2(5) . . . . ? N1 C14 C34 C38 -0.7(5) . . . . ? C27 C19 C35 C29 0.6(5) . . . . ? C27 C19 C35 C15 -179.3(3) . . . . ? N2 C29 C35 C19 2.2(5) . . . . ? C5 C29 C35 C19 -175.0(3) . . . . ? N2 C29 C35 C15 -177.9(3) . . . . ? C5 C29 C35 C15 4.9(4) . . . . ? C37 C15 C35 C19 176.6(4) . . . . ? C37 C15 C35 C29 -3.3(5) . . . . ? C7 C8 C36 C13 -0.8(5) . . . . ? C2 C8 C36 C13 178.8(3) . . . . ? C40 C13 C36 C8 1.0(5) . . . . ? C35 C15 C37 C26 -1.2(6) . . . . ? C38 C26 C37 C15 -173.7(4) . . . . ? C5 C26 C37 C15 4.0(5) . . . . ? C14 C34 C38 C26 0.9(5) . . . . ? C5 C26 C38 C34 0.1(5) . . . . ? C37 C26 C38 C34 177.9(3) . . . . ? C6 C23 C39 C21 0.9(5) . . . . ? C31 C21 C39 C23 -1.4(6) . . . . ? C36 C13 C40 C18 -1.0(5) . . . . ? C32 C18 C40 C13 179.9(3) . . . . ? C7 C18 C40 C13 0.8(5) . . . . ? C43 C33 C41 C11 0.8(6) . . . . ? C44 C11 C41 C33 -177.6(4) . . . . ? C10 C11 C41 C33 1.1(6) . . . . ? C30 C28 C42 C44 -0.4(6) . . . . ? C10 C12 C43 C33 -0.4(5) . . . . ? C3 C12 C43 C33 174.8(3) . . . . ? C41 C33 C43 C12 -1.2(6) . . . . ? C28 C42 C44 C11 0.4(7) . . . . ? C41 C11 C44 C42 179.1(4) . . . . ? C10 C11 C44 C42 0.4(6) . . . . ? C22 C9 C45 C25 -0.4(6) . . . . ? C6 C25 C45 C9 -0.7(5) . . . . ? C31 C25 C45 C9 177.6(4) . . . . ? O5 C3 Dy1 O4 -91.30(18) . . . 2_656 ? O6 C3 Dy1 O4 92.03(16) . . . 2_656 ? C12 C3 Dy1 O4 -55(2) . . . 2_656 ? O5 C3 Dy1 O2 -18.3(2) . . . . ? O6 C3 Dy1 O2 165.03(15) . . . . ? C12 C3 Dy1 O2 18(2) . . . . ? O5 C3 Dy1 O3 -162.66(17) . . . 2_656 ? O6 C3 Dy1 O3 20.66(18) . . . 2_656 ? C12 C3 Dy1 O3 -126(2) . . . 2_656 ? O6 C3 Dy1 O5 -176.7(3) . . . . ? C12 C3 Dy1 O5 36(2) . . . . ? O5 C3 Dy1 O1 89.7(3) . . . . ? O6 C3 Dy1 O1 -86.9(2) . . . . ? C12 C3 Dy1 O1 126(2) . . . . ? O5 C3 Dy1 O6 176.7(3) . . . . ? C12 C3 Dy1 O6 -147(2) . . . . ? O5 C3 Dy1 N2 56.16(18) . . . . ? O6 C3 Dy1 N2 -120.51(17) . . . . ? C12 C3 Dy1 N2 93(2) . . . . ? O5 C3 Dy1 N1 119.94(18) . . . . ? O6 C3 Dy1 N1 -56.74(16) . . . . ? C12 C3 Dy1 N1 156(2) . . . . ? C34 C14 N1 C5 -0.6(4) . . . . ? C34 C14 N1 Dy1 171.0(2) . . . . ? C26 C5 N1 C14 1.7(4) . . . . ? C29 C5 N1 C14 -175.4(3) . . . . ? C26 C5 N1 Dy1 -170.3(2) . . . . ? C29 C5 N1 Dy1 12.6(3) . . . . ? O4 Dy1 N1 C14 21.2(3) 2_656 . . . ? O2 Dy1 N1 C14 -153.9(2) . . . . ? O3 Dy1 N1 C14 -17.5(2) 2_656 . . . ? O5 Dy1 N1 C14 115.6(2) . . . . ? O1 Dy1 N1 C14 -101.0(2) . . . . ? O6 Dy1 N1 C14 68.5(2) . . . . ? N2 Dy1 N1 C14 176.5(2) . . . . ? C3 Dy1 N1 C14 91.8(2) . . . . ? O4 Dy1 N1 C5 -167.29(17) 2_656 . . . ? O2 Dy1 N1 C5 17.6(2) . . . . ? O3 Dy1 N1 C5 154.1(2) 2_656 . . . ? O5 Dy1 N1 C5 -72.86(19) . . . . ? O1 Dy1 N1 C5 70.55(19) . . . . ? O6 Dy1 N1 C5 -120.0(2) . . . . ? N2 Dy1 N1 C5 -11.93(18) . . . . ? C3 Dy1 N1 C5 -96.62(19) . . . . ? C27 C17 N2 C29 1.0(5) . . . . ? C27 C17 N2 Dy1 -175.4(3) . . . . ? C35 C29 N2 C17 -3.0(4) . . . . ? C5 C29 N2 C17 174.2(3) . . . . ? C35 C29 N2 Dy1 173.5(2) . . . . ? C5 C29 N2 Dy1 -9.3(3) . . . . ? O4 Dy1 N2 C17 -15.7(3) 2_656 . . . ? O2 Dy1 N2 C17 27.9(2) . . . . ? O3 Dy1 N2 C17 165.6(2) 2_656 . . . ? O5 Dy1 N2 C17 -57.7(2) . . . . ? O1 Dy1 N2 C17 112.5(2) . . . . ? O6 Dy1 N2 C17 -104.8(2) . . . . ? N1 Dy1 N2 C17 -172.8(3) . . . . ? C3 Dy1 N2 C17 -81.3(2) . . . . ? O4 Dy1 N2 C29 168.00(18) 2_656 . . . ? O2 Dy1 N2 C29 -148.5(2) . . . . ? O3 Dy1 N2 C29 -10.7(3) 2_656 . . . ? O5 Dy1 N2 C29 126.0(2) . . . . ? O1 Dy1 N2 C29 -63.9(2) . . . . ? O6 Dy1 N2 C29 78.9(2) . . . . ? N1 Dy1 N2 C29 10.83(19) . . . . ? C3 Dy1 N2 C29 102.4(2) . . . . ? O4 C1 O1 Dy1 12.1(3) . . . . ? C4 C1 O1 Dy1 -169.74(18) . . . . ? O4 Dy1 O1 C1 0.8(2) 2_656 . . . ? O2 Dy1 O1 C1 -67.06(18) . . . . ? O3 Dy1 O1 C1 66.02(18) 2_656 . . . ? O5 Dy1 O1 C1 -129.68(19) . . . . ? O6 Dy1 O1 C1 130.12(18) . . . . ? N2 Dy1 O1 C1 -145.62(19) . . . . ? N1 Dy1 O1 C1 147.18(19) . . . . ? C3 Dy1 O1 C1 179.57(19) . . . . ? O3 C2 O2 Dy1 10.6(5) . . . . ? C8 C2 O2 Dy1 -167.1(2) . . . . ? O4 Dy1 O2 C2 -41.9(3) 2_656 . . . ? O3 Dy1 O2 C2 16.7(3) 2_656 . . . ? O5 Dy1 O2 C2 -125.7(3) . . . . ? O1 Dy1 O2 C2 86.1(3) . . . . ? O6 Dy1 O2 C2 -108.0(3) . . . . ? N2 Dy1 O2 C2 162.4(3) . . . . ? N1 Dy1 O2 C2 135.3(3) . . . . ? C3 Dy1 O2 C2 -117.4(3) . . . . ? O2 C2 O3 Dy1 -32.8(4) . . . 2_656 ? C8 C2 O3 Dy1 144.89(19) . . . 2_656 ? O1 C1 O4 Dy1 -102.9(10) . . . 2_656 ? C4 C1 O4 Dy1 79.0(11) . . . 2_656 ? O6 C3 O5 Dy1 3.4(3) . . . . ? C12 C3 O5 Dy1 -176.1(2) . . . . ? O4 Dy1 O5 C3 84.46(18) 2_656 . . . ? O2 Dy1 O5 C3 162.36(19) . . . . ? O3 Dy1 O5 C3 23.2(2) 2_656 . . . ? O1 Dy1 O5 C3 -135.03(17) . . . . ? O6 Dy1 O5 C3 -1.87(16) . . . . ? N2 Dy1 O5 C3 -118.72(19) . . . . ? N1 Dy1 O5 C3 -62.48(19) . . . . ? O5 C3 O6 Dy1 -3.3(3) . . . . ? C12 C3 O6 Dy1 176.3(2) . . . . ? O4 Dy1 O6 C3 -83.79(17) 2_656 . . . ? O2 Dy1 O6 C3 -19.8(2) . . . . ? O3 Dy1 O6 C3 -160.32(17) 2_656 . . . ? O5 Dy1 O6 C3 1.86(16) . . . . ? O1 Dy1 O6 C3 136.49(16) . . . . ? N2 Dy1 O6 C3 60.23(17) . . . . ? N1 Dy1 O6 C3 119.90(17) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.267 _refine_diff_density_min -0.342 _refine_diff_density_rms 0.060