# 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 youxz@nju.edu.cn _publ_contact_author_name 'Xiaozeng You' loop_ _publ_author_name 'Xiaozeng You' 'Cheng Li' # Attachment '- 1b.cif' data_100304am _database_code_depnum_ccdc_archive 'CCDC 783990' #TrackingRef '- 1b.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H40 Dy F9 N2 O6' _chemical_formula_weight 1170.40 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 '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 9.7289(16) _cell_length_b 13.557(2) _cell_length_c 20.495(3) _cell_angle_alpha 73.683(2) _cell_angle_beta 77.666(2) _cell_angle_gamma 87.015(3) _cell_volume 2534.3(7) _cell_formula_units_Z 2 _cell_measurement_temperature 291(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour Colourless _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.534 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1170 _exptl_absorpt_coefficient_mu 1.560 _exptl_absorpt_correction_type Multi-Scan _exptl_absorpt_correction_T_min 0.6692 _exptl_absorpt_correction_T_max 0.7455 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 291(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 '4-circle diffractometer' _diffrn_measurement_method 'scintillation counter' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13573 _diffrn_reflns_av_R_equivalents 0.0214 _diffrn_reflns_av_sigmaI/netI 0.0668 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 2.12 _diffrn_reflns_theta_max 26.00 _reflns_number_total 9663 _reflns_number_gt 7769 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'Bruker SHELXTL' _computing_structure_refinement 'Bruker SHELXTL' _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 fullcycle _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+1.2200P] 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 9663 _refine_ls_number_parameters 667 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0786 _refine_ls_R_factor_gt 0.0579 _refine_ls_wR_factor_ref 0.1298 _refine_ls_wR_factor_gt 0.1248 _refine_ls_goodness_of_fit_ref 1.086 _refine_ls_restrained_S_all 1.086 _refine_ls_shift/su_max 0.000 _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 0.4630(6) 0.1751(4) 0.9719(3) 0.0416(13) Uani 1 1 d . . . C2 C 0.5864(6) 0.2053(5) 0.9869(3) 0.0461(14) Uani 1 1 d . . . H2 H 0.6533 0.2454 0.9512 0.055 Uiso 1 1 calc R . . C3 C 0.6092(6) 0.1764(5) 1.0533(3) 0.0481(15) Uani 1 1 d . . . H3 H 0.6908 0.1977 1.0624 0.058 Uiso 1 1 calc R . . C4 C 0.5107(7) 0.1154(5) 1.1074(3) 0.0495(15) Uani 1 1 d . . . H4 H 0.5267 0.0963 1.1524 0.059 Uiso 1 1 calc R . . C5 C 0.3880(6) 0.0828(5) 1.0941(3) 0.0504(15) Uani 1 1 d . . . H5 H 0.3232 0.0410 1.1300 0.060 Uiso 1 1 calc R . . C6 C 0.3630(7) 0.1139(5) 1.0256(3) 0.0499(15) Uani 1 1 d . . . H6 H 0.2807 0.0939 1.0165 0.060 Uiso 1 1 calc R . . C7 C 0.4506(7) 0.2102(4) 0.8966(3) 0.0457(14) Uani 1 1 d . . . H7 H 0.5404 0.2434 0.8702 0.055 Uiso 1 1 calc R . . C8 C 0.3363(9) 0.2855(4) 0.8758(3) 0.0545(17) Uani 1 1 d . . . H8 H 0.2447 0.2514 0.8968 0.065 Uiso 1 1 calc R . . C9 C 0.3318(6) 0.3867(4) 0.8908(3) 0.0414(13) Uani 1 1 d . . . C10 C 0.4337(6) 0.4605(4) 0.8569(3) 0.0428(13) Uani 1 1 d . . . H10 H 0.5118 0.4464 0.8259 0.051 Uiso 1 1 calc R . . C11 C 0.4191(7) 0.5568(5) 0.8695(3) 0.0494(15) Uani 1 1 d . . . H11 H 0.4879 0.6070 0.8466 0.059 Uiso 1 1 calc R . . C12 C 0.3025(7) 0.5786(5) 0.9158(4) 0.0497(15) Uani 1 1 d . . . H12 H 0.2944 0.6426 0.9246 0.060 Uiso 1 1 calc R . . C13 C 0.2005(7) 0.5057(5) 0.9482(3) 0.0529(16) Uani 1 1 d . . . H13 H 0.1214 0.5201 0.9784 0.063 Uiso 1 1 calc R . . C14 C 0.2154(7) 0.4075(5) 0.9355(3) 0.0492(15) Uani 1 1 d . . . H14 H 0.1460 0.3574 0.9576 0.059 Uiso 1 1 calc R . . C15 C 0.8116(6) 0.3268(4) 0.6998(3) 0.0426(13) Uani 1 1 d . . . C16 C 0.7191(6) 0.2337(4) 0.7116(3) 0.0362(11) Uani 1 1 d . . . C17 C 0.7895(6) 0.1427(4) 0.7126(3) 0.0378(12) Uani 1 1 d . . . H17 H 0.8866 0.1387 0.7083 0.045 Uiso 1 1 calc R . . C18 C 0.7077(5) 0.0563(4) 0.7203(2) 0.0319(10) Uani 1 1 d . . . C19 C 0.7882(5) -0.0380(4) 0.7068(2) 0.0309(10) Uani 1 1 d . . . C20 C 0.9330(6) -0.0440(4) 0.6885(3) 0.0382(12) Uani 1 1 d . . . H20 H 0.9898 0.0064 0.6923 0.046 Uiso 1 1 calc R . . C21 C 0.9927(6) -0.1246(4) 0.6645(3) 0.0361(12) Uani 1 1 d . . . H21 H 1.0898 -0.1257 0.6496 0.043 Uiso 1 1 calc R . . C22 C 0.9124(5) -0.2043(4) 0.6619(3) 0.0341(11) Uani 1 1 d . . . C23 C 0.9758(6) -0.2836(4) 0.6372(3) 0.0369(12) Uani 1 1 d . . . H23 H 1.0733 -0.2857 0.6242 0.044 Uiso 1 1 calc R . . C24 C 0.8929(6) -0.3611(4) 0.6316(3) 0.0418(13) Uani 1 1 d . . . H24 H 0.9358 -0.4148 0.6152 0.050 Uiso 1 1 calc R . . C25 C 0.7518(6) -0.3584(4) 0.6499(3) 0.0366(12) Uani 1 1 d . . . H25 H 0.6972 -0.4099 0.6460 0.044 Uiso 1 1 calc R . . C26 C 0.6870(6) -0.2765(4) 0.6751(3) 0.0350(11) Uani 1 1 d . . . H26 H 0.5895 -0.2751 0.6884 0.042 Uiso 1 1 calc R . . C27 C 0.7660(6) -0.1997(4) 0.6802(3) 0.0393(12) Uani 1 1 d . . . C28 C 0.7013(5) -0.1180(4) 0.7033(3) 0.0329(11) Uani 1 1 d . . . H28 H 0.6038 -0.1154 0.7162 0.040 Uiso 1 1 calc R . . C29 C 0.2428(7) 0.4213(4) 0.5784(3) 0.0462(14) Uani 1 1 d . . . C30 C 0.2751(6) 0.3106(4) 0.6139(3) 0.0397(12) Uani 1 1 d . . . C31 C 0.2543(6) 0.2407(4) 0.5782(3) 0.0394(13) Uani 1 1 d . . . H31 H 0.2144 0.2604 0.5391 0.047 Uiso 1 1 calc R . . C32 C 0.2971(6) 0.1383(4) 0.6043(3) 0.0362(12) Uani 1 1 d . . . C33 C 0.2884(6) 0.0645(4) 0.5648(3) 0.0352(11) Uani 1 1 d . . . C34 C 0.2043(6) 0.0807(5) 0.5160(3) 0.0405(13) Uani 1 1 d . . . H34 H 0.1586 0.1433 0.5049 0.049 Uiso 1 1 calc R . . C35 C 0.1853(6) 0.0078(4) 0.4830(3) 0.0396(13) Uani 1 1 d . . . H35 H 0.1254 0.0205 0.4518 0.048 Uiso 1 1 calc R . . C36 C 0.2586(7) -0.0866(4) 0.4975(3) 0.0394(12) Uani 1 1 d . . . C37 C 0.2456(6) -0.1629(5) 0.4647(3) 0.0445(13) Uani 1 1 d . . . H37 H 0.1891 -0.1524 0.4320 0.053 Uiso 1 1 calc R . . C38 C 0.3163(6) -0.2513(5) 0.4814(3) 0.0425(13) Uani 1 1 d . . . H38 H 0.3077 -0.3018 0.4598 0.051 Uiso 1 1 calc R . . C39 C 0.4018(6) -0.2700(5) 0.5299(3) 0.0426(13) Uani 1 1 d . . . H39 H 0.4474 -0.3326 0.5411 0.051 Uiso 1 1 calc R . . C40 C 0.4182(6) -0.1951(5) 0.5610(3) 0.0413(13) Uani 1 1 d . . . H40 H 0.4781 -0.2065 0.5922 0.050 Uiso 1 1 calc R . . C41 C 0.3477(5) -0.1035(4) 0.5470(3) 0.0352(12) Uani 1 1 d . . . C42 C 0.3630(6) -0.0309(4) 0.5797(3) 0.0384(12) Uani 1 1 d . . . H42 H 0.4215 -0.0432 0.6115 0.046 Uiso 1 1 calc R . . C43 C -0.0749(7) 0.1239(5) 0.8935(3) 0.0509(15) Uani 1 1 d . . . C44 C 0.0593(7) 0.0885(5) 0.8530(3) 0.0466(14) Uani 1 1 d . . . C45 C 0.0648(6) -0.0135(4) 0.8531(3) 0.0396(12) Uani 1 1 d . . . H45 H -0.0138 -0.0544 0.8772 0.047 Uiso 1 1 calc R . . C46 C 0.1797(5) -0.0598(4) 0.8196(3) 0.0362(12) Uani 1 1 d . . . C47 C 0.1665(6) -0.1669(4) 0.8141(2) 0.0342(11) Uani 1 1 d . . . C48 C 0.2798(6) -0.1980(4) 0.7718(3) 0.0374(12) Uani 1 1 d . . . H48 H 0.3621 -0.1590 0.7544 0.045 Uiso 1 1 calc R . . C49 C 0.2667(6) -0.2917(4) 0.7556(3) 0.0378(12) Uani 1 1 d . . . H49 H 0.3393 -0.3124 0.7248 0.045 Uiso 1 1 calc R . . C50 C 0.1493(6) -0.3517(4) 0.7845(3) 0.0403(12) Uani 1 1 d . . . C51 C 0.1380(6) -0.4472(4) 0.7704(3) 0.0383(12) Uani 1 1 d . . . H51 H 0.2126 -0.4704 0.7419 0.046 Uiso 1 1 calc R . . C52 C 0.0150(5) -0.5066(4) 0.7990(3) 0.0333(11) Uani 1 1 d . . . H52 H 0.0072 -0.5679 0.7881 0.040 Uiso 1 1 calc R . . C53 C -0.0932(6) -0.4755(5) 0.8427(3) 0.0413(13) Uani 1 1 d . . . H53 H -0.1721 -0.5176 0.8633 0.050 Uiso 1 1 calc R . . C54 C -0.0876(6) -0.3799(4) 0.8573(3) 0.0399(12) Uani 1 1 d . . . H54 H -0.1632 -0.3577 0.8859 0.048 Uiso 1 1 calc R . . C55 C 0.0345(6) -0.3193(4) 0.8277(2) 0.0358(12) Uani 1 1 d . . . C56 C 0.0425(6) -0.2259(4) 0.8439(3) 0.0379(12) Uani 1 1 d . . . H56 H -0.0317 -0.2039 0.8732 0.045 Uiso 1 1 calc R . . Dy1 Dy 0.38572(3) 0.156308(19) 0.749095(14) 0.03657(9) Uani 1 1 d . . . F1 F 0.7611(3) 0.3767(2) 0.74224(17) 0.0430(7) Uani 1 1 d . . . F2 F 0.7985(4) 0.3847(3) 0.63738(18) 0.0511(8) Uani 1 1 d . . . F3 F 0.9407(4) 0.3051(3) 0.69955(19) 0.0508(8) Uani 1 1 d . . . F4 F 0.3611(4) 0.4695(3) 0.54752(19) 0.0552(9) Uani 1 1 d . . . F5 F 0.1833(3) 0.4726(3) 0.62350(18) 0.0463(8) Uani 1 1 d . . . F6 F 0.1629(4) 0.4368(2) 0.53575(17) 0.0469(8) Uani 1 1 d . . . F7 F -0.0664(4) 0.2105(3) 0.8992(2) 0.0605(10) Uani 1 1 d . . . F8 F -0.1164(4) 0.0597(3) 0.95323(19) 0.0548(9) Uani 1 1 d . . . F9 F -0.1784(4) 0.1196(3) 0.8633(2) 0.0675(11) Uani 1 1 d . . . N1 N 0.4338(5) 0.1230(3) 0.8698(2) 0.0364(10) Uani 1 1 d . . . H1A H 0.3630 0.0835 0.8996 0.044 Uiso 1 1 calc R . . H1B H 0.5127 0.0855 0.8713 0.044 Uiso 1 1 calc R . . N2 N 0.3558(5) 0.3117(3) 0.7980(2) 0.0349(9) Uani 1 1 d . . . H2A H 0.4321 0.3527 0.7786 0.042 Uiso 1 1 calc R . . H2B H 0.2807 0.3476 0.7854 0.042 Uiso 1 1 calc R . . O1 O 0.5908(4) 0.2537(3) 0.71573(19) 0.0396(8) Uani 1 1 d . . . O2 O 0.5797(4) 0.0477(3) 0.73839(19) 0.0354(8) Uani 1 1 d . . . O3 O 0.3157(5) 0.2983(3) 0.6716(2) 0.0455(9) Uani 1 1 d . . . O4 O 0.3524(4) 0.1091(3) 0.6562(2) 0.0428(9) Uani 1 1 d . . . O5 O 0.1675(4) 0.1429(3) 0.8275(2) 0.0433(9) Uani 1 1 d . . . O6 O 0.2990(4) -0.0116(3) 0.7942(2) 0.0407(9) 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 0.046(3) 0.046(3) 0.032(3) -0.010(2) -0.009(2) 0.011(3) C2 0.045(3) 0.058(4) 0.037(3) -0.010(3) -0.015(3) -0.001(3) C3 0.040(3) 0.052(3) 0.043(3) 0.010(3) -0.017(3) -0.011(3) C4 0.051(4) 0.064(4) 0.035(3) -0.012(3) -0.011(3) -0.011(3) C5 0.038(3) 0.070(4) 0.042(3) -0.011(3) -0.007(3) -0.014(3) C6 0.042(3) 0.075(4) 0.038(3) -0.027(3) -0.004(3) -0.008(3) C7 0.062(4) 0.033(3) 0.044(3) -0.007(2) -0.020(3) 0.001(3) C8 0.095(5) 0.031(3) 0.038(3) -0.003(2) -0.026(3) 0.020(3) C9 0.053(3) 0.035(3) 0.040(3) -0.011(2) -0.018(3) 0.003(3) C10 0.050(3) 0.047(3) 0.028(3) -0.010(2) -0.004(2) 0.012(3) C11 0.040(3) 0.049(3) 0.058(4) -0.018(3) -0.003(3) 0.005(3) C12 0.048(3) 0.054(4) 0.063(4) -0.044(3) -0.008(3) -0.004(3) C13 0.063(4) 0.042(3) 0.041(3) -0.007(3) 0.011(3) 0.001(3) C14 0.043(3) 0.045(3) 0.053(4) -0.011(3) 0.004(3) -0.008(3) C15 0.048(3) 0.031(3) 0.051(3) -0.012(2) -0.015(3) 0.006(2) C16 0.039(3) 0.038(3) 0.038(3) -0.016(2) -0.014(2) 0.004(2) C17 0.045(3) 0.037(3) 0.045(3) -0.016(2) -0.032(3) 0.001(2) C18 0.037(3) 0.035(3) 0.021(2) -0.006(2) -0.0021(19) -0.006(2) C19 0.031(3) 0.035(3) 0.024(2) -0.002(2) -0.0072(19) 0.001(2) C20 0.031(3) 0.041(3) 0.051(3) -0.019(3) -0.021(2) 0.010(2) C21 0.044(3) 0.041(3) 0.029(3) -0.013(2) -0.022(2) 0.014(2) C22 0.035(3) 0.030(2) 0.040(3) -0.006(2) -0.024(2) 0.021(2) C23 0.041(3) 0.039(3) 0.030(3) -0.008(2) -0.012(2) 0.019(2) C24 0.043(3) 0.025(2) 0.047(3) -0.007(2) 0.006(3) 0.012(2) C25 0.039(3) 0.044(3) 0.032(3) -0.013(2) -0.021(2) 0.023(2) C26 0.035(3) 0.040(3) 0.030(3) -0.011(2) -0.010(2) 0.015(2) C27 0.039(3) 0.036(3) 0.037(3) -0.008(2) 0.001(2) 0.004(2) C28 0.027(2) 0.034(3) 0.043(3) -0.017(2) -0.010(2) 0.004(2) C29 0.054(4) 0.036(3) 0.047(3) -0.007(3) -0.013(3) 0.008(3) C30 0.044(3) 0.037(3) 0.038(3) -0.011(2) -0.010(2) 0.003(2) C31 0.038(3) 0.041(3) 0.049(3) -0.016(3) -0.027(3) -0.004(2) C32 0.038(3) 0.032(3) 0.040(3) -0.004(2) -0.013(2) -0.015(2) C33 0.034(3) 0.040(3) 0.035(3) -0.010(2) -0.011(2) -0.005(2) C34 0.043(3) 0.053(3) 0.027(3) -0.013(2) -0.011(2) 0.013(3) C35 0.049(3) 0.053(3) 0.023(2) -0.013(2) -0.019(2) 0.017(3) C36 0.056(3) 0.040(3) 0.025(3) -0.009(2) -0.015(2) 0.007(3) C37 0.044(3) 0.053(4) 0.038(3) -0.017(3) -0.007(2) 0.003(3) C38 0.049(3) 0.049(3) 0.029(3) -0.014(2) -0.001(2) 0.001(3) C39 0.033(3) 0.042(3) 0.051(3) -0.009(3) -0.009(2) -0.006(2) C40 0.046(3) 0.051(3) 0.032(3) -0.016(2) -0.016(2) 0.013(3) C41 0.033(3) 0.050(3) 0.025(2) -0.015(2) -0.009(2) 0.015(2) C42 0.041(3) 0.043(3) 0.033(3) -0.007(2) -0.016(2) 0.002(2) C43 0.052(4) 0.057(4) 0.040(3) -0.014(3) -0.001(3) -0.002(3) C44 0.050(4) 0.045(3) 0.048(3) -0.020(3) -0.009(3) 0.002(3) C45 0.035(3) 0.044(3) 0.041(3) -0.014(2) -0.008(2) -0.007(2) C46 0.026(2) 0.039(3) 0.049(3) -0.012(2) -0.021(2) 0.004(2) C47 0.043(3) 0.040(3) 0.021(2) -0.008(2) -0.009(2) -0.003(2) C48 0.041(3) 0.037(3) 0.041(3) -0.015(2) -0.019(2) 0.010(2) C49 0.034(3) 0.032(3) 0.044(3) -0.006(2) -0.009(2) 0.009(2) C50 0.051(3) 0.032(3) 0.032(3) -0.003(2) -0.003(2) -0.007(2) C51 0.051(3) 0.040(3) 0.027(2) -0.007(2) -0.018(2) -0.005(2) C52 0.036(3) 0.041(3) 0.030(2) -0.009(2) -0.024(2) 0.006(2) C53 0.045(3) 0.053(3) 0.033(3) -0.021(2) -0.008(2) -0.010(3) C54 0.038(3) 0.043(3) 0.048(3) -0.021(3) -0.018(2) -0.002(2) C55 0.049(3) 0.039(3) 0.016(2) -0.0023(19) -0.002(2) -0.015(2) C56 0.042(3) 0.038(3) 0.036(3) -0.007(2) -0.017(2) 0.000(2) Dy1 0.04112(15) 0.03169(13) 0.04035(15) -0.01241(10) -0.01454(10) 0.00860(10) F1 0.0447(17) 0.0416(17) 0.0483(18) -0.0173(14) -0.0113(14) -0.0157(14) F2 0.058(2) 0.053(2) 0.0403(18) -0.0020(15) -0.0163(15) -0.0130(16) F3 0.0452(19) 0.057(2) 0.060(2) -0.0225(17) -0.0216(16) -0.0070(16) F4 0.058(2) 0.0441(19) 0.053(2) 0.0003(16) -0.0099(17) 0.0018(16) F5 0.0455(18) 0.0460(18) 0.052(2) -0.0135(15) -0.0245(15) 0.0173(15) F6 0.062(2) 0.0383(17) 0.0431(18) -0.0114(14) -0.0198(16) 0.0167(15) F7 0.060(2) 0.051(2) 0.071(3) -0.0236(19) -0.0091(19) 0.0139(18) F8 0.057(2) 0.056(2) 0.056(2) -0.0241(17) -0.0053(17) -0.0156(17) F9 0.051(2) 0.079(3) 0.066(3) -0.014(2) -0.0049(19) -0.008(2) N1 0.037(2) 0.037(2) 0.038(2) -0.0115(19) -0.0124(19) 0.0026(18) N2 0.033(2) 0.038(2) 0.040(2) -0.0153(19) -0.0149(19) 0.0050(18) O1 0.046(2) 0.0373(19) 0.039(2) -0.0130(16) -0.0147(17) 0.0036(16) O2 0.0286(18) 0.044(2) 0.042(2) -0.0182(16) -0.0177(15) 0.0038(15) O3 0.062(3) 0.037(2) 0.047(2) -0.0155(18) -0.028(2) 0.0096(18) O4 0.048(2) 0.043(2) 0.049(2) -0.0218(18) -0.0254(18) 0.0191(18) O5 0.0349(19) 0.044(2) 0.062(3) -0.032(2) -0.0124(18) 0.0041(17) O6 0.040(2) 0.043(2) 0.046(2) -0.0253(18) -0.0061(17) 0.0037(16) _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 C6 1.401(8) . ? C1 C2 1.408(9) . ? C1 C7 1.511(8) . ? C2 C3 1.371(8) . ? C2 H2 0.9300 . ? C3 C4 1.394(8) . ? C3 H3 0.9300 . ? C4 C5 1.399(9) . ? C4 H4 0.9300 . ? C5 C6 1.418(9) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 N1 1.465(6) . ? C7 C8 1.515(8) . ? C7 H7 0.9800 . ? C8 C9 1.484(8) . ? C8 N2 1.506(6) . ? C8 H8 0.9800 . ? C9 C14 1.367(8) . ? C9 C10 1.374(8) . ? C10 C11 1.394(8) . ? C10 H10 0.9300 . ? C11 C12 1.392(8) . ? C11 H11 0.9300 . ? C12 C13 1.362(9) . ? C12 H12 0.9300 . ? C13 C14 1.421(9) . ? C13 H13 0.9300 . ? C14 H14 0.9300 . ? C15 F1 1.252(6) . ? C15 F3 1.274(6) . ? C15 F2 1.328(6) . ? C15 C16 1.522(8) . ? C16 O1 1.254(5) . ? C16 C17 1.377(8) . ? C17 C18 1.403(7) . ? C17 H17 0.9300 . ? C18 O2 1.223(5) . ? C18 C19 1.525(7) . ? C19 C20 1.383(7) . ? C19 C28 1.436(7) . ? C20 C21 1.373(7) . ? C20 H20 0.9300 . ? C21 C22 1.385(8) . ? C21 H21 0.9300 . ? C22 C23 1.378(7) . ? C22 C27 1.396(8) . ? C23 C24 1.400(8) . ? C23 H23 0.9300 . ? C24 C25 1.345(8) . ? C24 H24 0.9300 . ? C25 C26 1.417(7) . ? C25 H25 0.9300 . ? C26 C27 1.365(8) . ? C26 H26 0.9300 . ? C27 C28 1.394(7) . ? C28 H28 0.9300 . ? C29 F6 1.259(6) . ? C29 F4 1.299(6) . ? C29 F5 1.328(6) . ? C29 C30 1.521(8) . ? C30 O3 1.289(6) . ? C30 C31 1.396(8) . ? C31 C32 1.416(8) . ? C31 H31 0.9300 . ? C32 O4 1.250(5) . ? C32 C33 1.469(7) . ? C33 C34 1.388(8) . ? C33 C42 1.438(8) . ? C34 C35 1.383(8) . ? C34 H34 0.9300 . ? C35 C36 1.420(8) . ? C35 H35 0.9300 . ? C36 C37 1.407(8) . ? C36 C41 1.434(7) . ? C37 C38 1.347(8) . ? C37 H37 0.9300 . ? C38 C39 1.389(8) . ? C38 H38 0.9300 . ? C39 C40 1.375(8) . ? C39 H39 0.9300 . ? C40 C41 1.374(8) . ? C40 H40 0.9300 . ? C41 C42 1.368(7) . ? C42 H42 0.9300 . ? C43 F7 1.221(7) . ? C43 F8 1.282(6) . ? C43 F9 1.301(7) . ? C43 C44 1.523(8) . ? C44 O5 1.247(6) . ? C44 C45 1.380(8) . ? C45 C46 1.399(8) . ? C45 H45 0.9300 . ? C46 O6 1.294(5) . ? C46 C47 1.502(7) . ? C47 C48 1.376(7) . ? C47 C56 1.407(6) . ? C48 C49 1.418(8) . ? C48 H48 0.9300 . ? C49 C50 1.362(8) . ? C49 H49 0.9300 . ? C50 C55 1.403(6) . ? C50 C51 1.418(5) . ? C51 C52 1.400(8) . ? C51 H51 0.9300 . ? C52 C53 1.361(8) . ? C52 H52 0.9300 . ? C53 C54 1.416(7) . ? C53 H53 0.9300 . ? C54 C55 1.403(8) . ? C54 H54 0.9300 . ? C55 C56 1.405(7) . ? C56 H56 0.9300 . ? Dy1 O4 2.261(4) . ? Dy1 O3 2.302(4) . ? Dy1 O1 2.319(4) . ? Dy1 O6 2.331(4) . ? Dy1 O2 2.344(3) . ? Dy1 O5 2.353(4) . ? Dy1 N1 2.528(4) . ? Dy1 N2 2.554(4) . ? N1 H1A 0.9000 . ? N1 H1B 0.9000 . ? N2 H2A 0.9000 . ? N2 H2B 0.9000 . ? 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 C6 C1 C2 119.4(5) . . ? C6 C1 C7 124.5(6) . . ? C2 C1 C7 116.2(5) . . ? C3 C2 C1 120.9(6) . . ? C3 C2 H2 119.5 . . ? C1 C2 H2 119.5 . . ? C2 C3 C4 120.3(6) . . ? C2 C3 H3 119.8 . . ? C4 C3 H3 119.8 . . ? C3 C4 C5 120.2(6) . . ? C3 C4 H4 119.9 . . ? C5 C4 H4 119.9 . . ? C4 C5 C6 119.6(6) . . ? C4 C5 H5 120.2 . . ? C6 C5 H5 120.2 . . ? C1 C6 C5 119.5(6) . . ? C1 C6 H6 120.2 . . ? C5 C6 H6 120.2 . . ? N1 C7 C1 111.6(4) . . ? N1 C7 C8 105.8(5) . . ? C1 C7 C8 119.3(5) . . ? N1 C7 H7 106.5 . . ? C1 C7 H7 106.5 . . ? C8 C7 H7 106.5 . . ? C9 C8 N2 104.4(4) . . ? C9 C8 C7 119.0(6) . . ? N2 C8 C7 107.4(5) . . ? C9 C8 H8 108.5 . . ? N2 C8 H8 108.5 . . ? C7 C8 H8 108.5 . . ? C14 C9 C10 120.6(5) . . ? C14 C9 C8 117.3(6) . . ? C10 C9 C8 121.8(6) . . ? C9 C10 C11 119.4(5) . . ? C9 C10 H10 120.3 . . ? C11 C10 H10 120.3 . . ? C12 C11 C10 120.7(6) . . ? C12 C11 H11 119.6 . . ? C10 C11 H11 119.6 . . ? C13 C12 C11 119.5(6) . . ? C13 C12 H12 120.2 . . ? C11 C12 H12 120.2 . . ? C12 C13 C14 119.8(6) . . ? C12 C13 H13 120.1 . . ? C14 C13 H13 120.1 . . ? C9 C14 C13 119.9(6) . . ? C9 C14 H14 120.1 . . ? C13 C14 H14 120.1 . . ? F1 C15 F3 112.4(5) . . ? F1 C15 F2 106.9(4) . . ? F3 C15 F2 109.7(4) . . ? F1 C15 C16 110.1(5) . . ? F3 C15 C16 113.7(4) . . ? F2 C15 C16 103.4(4) . . ? O1 C16 C17 130.4(5) . . ? O1 C16 C15 114.1(4) . . ? C17 C16 C15 115.4(5) . . ? C16 C17 C18 116.8(5) . . ? C16 C17 H17 121.6 . . ? C18 C17 H17 121.6 . . ? O2 C18 C17 127.1(5) . . ? O2 C18 C19 116.7(4) . . ? C17 C18 C19 116.2(5) . . ? C20 C19 C28 119.9(5) . . ? C20 C19 C18 125.0(5) . . ? C28 C19 C18 114.4(4) . . ? C21 C20 C19 119.7(5) . . ? C21 C20 H20 120.1 . . ? C19 C20 H20 120.1 . . ? C20 C21 C22 121.9(5) . . ? C20 C21 H21 119.0 . . ? C22 C21 H21 119.0 . . ? C23 C22 C21 120.3(5) . . ? C23 C22 C27 120.3(5) . . ? C21 C22 C27 119.2(5) . . ? C22 C23 C24 119.7(5) . . ? C22 C23 H23 120.1 . . ? C24 C23 H23 120.1 . . ? C25 C24 C23 120.6(5) . . ? C25 C24 H24 119.7 . . ? C23 C24 H24 119.7 . . ? C24 C25 C26 119.5(6) . . ? C24 C25 H25 120.2 . . ? C26 C25 H25 120.2 . . ? C27 C26 C25 120.7(5) . . ? C27 C26 H26 119.6 . . ? C25 C26 H26 119.6 . . ? C26 C27 C28 120.4(5) . . ? C26 C27 C22 119.1(5) . . ? C28 C27 C22 120.5(5) . . ? C27 C28 C19 118.6(5) . . ? C27 C28 H28 120.7 . . ? C19 C28 H28 120.7 . . ? F6 C29 F4 108.7(4) . . ? F6 C29 F5 104.1(4) . . ? F4 C29 F5 104.2(4) . . ? F6 C29 C30 118.0(5) . . ? F4 C29 C30 108.4(5) . . ? F5 C29 C30 112.5(5) . . ? O3 C30 C31 131.7(5) . . ? O3 C30 C29 114.4(5) . . ? C31 C30 C29 113.9(5) . . ? C30 C31 C32 116.8(5) . . ? C30 C31 H31 121.6 . . ? C32 C31 H31 121.6 . . ? O4 C32 C31 123.5(4) . . ? O4 C32 C33 117.8(4) . . ? C31 C32 C33 118.4(5) . . ? C34 C33 C42 118.3(5) . . ? C34 C33 C32 122.4(5) . . ? C42 C33 C32 119.2(5) . . ? C35 C34 C33 122.9(5) . . ? C35 C34 H34 118.5 . . ? C33 C34 H34 118.5 . . ? C34 C35 C36 119.1(5) . . ? C34 C35 H35 120.5 . . ? C36 C35 H35 120.5 . . ? C37 C36 C35 121.7(5) . . ? C37 C36 C41 119.8(5) . . ? C35 C36 C41 118.5(5) . . ? C38 C37 C36 118.7(6) . . ? C38 C37 H37 120.6 . . ? C36 C37 H37 120.6 . . ? C37 C38 C39 122.4(6) . . ? C37 C38 H38 118.8 . . ? C39 C38 H38 118.8 . . ? C40 C39 C38 119.4(5) . . ? C40 C39 H39 120.3 . . ? C38 C39 H39 120.3 . . ? C41 C40 C39 121.2(5) . . ? C41 C40 H40 119.4 . . ? C39 C40 H40 119.4 . . ? C42 C41 C40 120.3(5) . . ? C42 C41 C36 121.3(5) . . ? C40 C41 C36 118.4(5) . . ? C41 C42 C33 119.8(5) . . ? C41 C42 H42 120.1 . . ? C33 C42 H42 120.1 . . ? F7 C43 F8 110.7(5) . . ? F7 C43 F9 109.4(5) . . ? F8 C43 F9 101.5(5) . . ? F7 C43 C44 113.6(5) . . ? F8 C43 C44 111.8(5) . . ? F9 C43 C44 109.1(5) . . ? O5 C44 C45 119.2(5) . . ? O5 C44 C43 123.4(5) . . ? C45 C44 C43 116.9(6) . . ? C44 C45 C46 124.9(5) . . ? C44 C45 H45 117.6 . . ? C46 C45 H45 117.6 . . ? O6 C46 C45 120.4(5) . . ? O6 C46 C47 119.4(4) . . ? C45 C46 C47 120.2(5) . . ? C48 C47 C56 122.9(4) . . ? C48 C47 C46 114.3(5) . . ? C56 C47 C46 122.4(4) . . ? C47 C48 C49 117.7(5) . . ? C47 C48 H48 121.1 . . ? C49 C48 H48 121.1 . . ? C50 C49 C48 120.9(5) . . ? C50 C49 H49 119.5 . . ? C48 C49 H49 119.5 . . ? C49 C50 C55 120.7(5) . . ? C49 C50 C51 121.0(5) . . ? C55 C50 C51 118.2(4) . . ? C52 C51 C50 120.3(5) . . ? C52 C51 H51 119.9 . . ? C50 C51 H51 119.9 . . ? C53 C52 C51 120.6(5) . . ? C53 C52 H52 119.7 . . ? C51 C52 H52 119.7 . . ? C52 C53 C54 121.0(5) . . ? C52 C53 H53 119.5 . . ? C54 C53 H53 119.5 . . ? C55 C54 C53 118.5(5) . . ? C55 C54 H54 120.8 . . ? C53 C54 H54 120.8 . . ? C50 C55 C54 121.4(4) . . ? C50 C55 C56 119.9(4) . . ? C54 C55 C56 118.7(5) . . ? C55 C56 C47 117.7(5) . . ? C55 C56 H56 121.2 . . ? C47 C56 H56 121.2 . . ? O4 Dy1 O3 71.55(13) . . ? O4 Dy1 O1 108.08(14) . . ? O3 Dy1 O1 80.45(14) . . ? O4 Dy1 O6 74.96(14) . . ? O3 Dy1 O6 132.30(14) . . ? O1 Dy1 O6 143.05(13) . . ? O4 Dy1 O2 81.47(12) . . ? O3 Dy1 O2 131.84(14) . . ? O1 Dy1 O2 70.89(13) . . ? O6 Dy1 O2 73.33(13) . . ? O4 Dy1 O5 107.72(14) . . ? O3 Dy1 O5 92.39(15) . . ? O1 Dy1 O5 138.92(12) . . ? O6 Dy1 O5 66.72(13) . . ? O2 Dy1 O5 134.29(14) . . ? O4 Dy1 N1 154.25(14) . . ? O3 Dy1 N1 133.89(14) . . ? O1 Dy1 N1 83.90(14) . . ? O6 Dy1 N1 81.89(14) . . ? O2 Dy1 N1 81.22(13) . . ? O5 Dy1 N1 72.22(14) . . ? O4 Dy1 N2 140.37(13) . . ? O3 Dy1 N2 68.97(13) . . ? O1 Dy1 N2 68.70(14) . . ? O6 Dy1 N2 132.37(14) . . ? O2 Dy1 N2 129.02(13) . . ? O5 Dy1 N2 70.98(13) . . ? N1 Dy1 N2 64.94(14) . . ? C7 N1 Dy1 119.4(2) . . ? C7 N1 H1A 107.5 . . ? Dy1 N1 H1A 107.5 . . ? C7 N1 H1B 107.5 . . ? Dy1 N1 H1B 107.5 . . ? H1A N1 H1B 107.0 . . ? C8 N2 Dy1 114.5(2) . . ? C8 N2 H2A 108.6 . . ? Dy1 N2 H2A 108.6 . . ? C8 N2 H2B 108.6 . . ? Dy1 N2 H2B 108.6 . . ? H2A N2 H2B 107.6 . . ? C16 O1 Dy1 134.8(3) . . ? C18 O2 Dy1 137.5(2) . . ? C30 O3 Dy1 132.8(2) . . ? C32 O4 Dy1 142.0(3) . . ? C44 O5 Dy1 143.0(3) . . ? C46 O6 Dy1 139.4(2) . . ? 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 C6 C1 C2 C3 -0.6(9) . . . . ? C7 C1 C2 C3 -179.1(6) . . . . ? C1 C2 C3 C4 0.7(10) . . . . ? C2 C3 C4 C5 0.2(11) . . . . ? C3 C4 C5 C6 -1.3(11) . . . . ? C2 C1 C6 C5 -0.5(9) . . . . ? C7 C1 C6 C5 177.9(6) . . . . ? C4 C5 C6 C1 1.4(10) . . . . ? C6 C1 C7 N1 -56.7(8) . . . . ? C2 C1 C7 N1 121.8(6) . . . . ? C6 C1 C7 C8 67.2(8) . . . . ? C2 C1 C7 C8 -114.4(7) . . . . ? N1 C7 C8 C9 -175.3(5) . . . . ? C1 C7 C8 C9 58.1(9) . . . . ? N1 C7 C8 N2 -57.2(6) . . . . ? C1 C7 C8 N2 176.2(5) . . . . ? N2 C8 C9 C14 123.2(6) . . . . ? C7 C8 C9 C14 -117.1(7) . . . . ? N2 C8 C9 C10 -51.2(8) . . . . ? C7 C8 C9 C10 68.5(8) . . . . ? C14 C9 C10 C11 1.3(9) . . . . ? C8 C9 C10 C11 175.5(6) . . . . ? C9 C10 C11 C12 0.0(10) . . . . ? C10 C11 C12 C13 -1.3(10) . . . . ? C11 C12 C13 C14 1.4(11) . . . . ? C10 C9 C14 C13 -1.2(10) . . . . ? C8 C9 C14 C13 -175.7(6) . . . . ? C12 C13 C14 C9 -0.1(11) . . . . ? F1 C15 C16 O1 49.1(6) . . . . ? F3 C15 C16 O1 176.3(4) . . . . ? F2 C15 C16 O1 -64.8(5) . . . . ? F1 C15 C16 C17 -134.0(5) . . . . ? F3 C15 C16 C17 -6.8(7) . . . . ? F2 C15 C16 C17 112.0(5) . . . . ? O1 C16 C17 C18 -1.0(9) . . . . ? C15 C16 C17 C18 -177.2(5) . . . . ? C16 C17 C18 O2 -14.0(8) . . . . ? C16 C17 C18 C19 168.2(5) . . . . ? O2 C18 C19 C20 -177.5(5) . . . . ? C17 C18 C19 C20 0.5(8) . . . . ? O2 C18 C19 C28 12.2(6) . . . . ? C17 C18 C19 C28 -169.7(5) . . . . ? C28 C19 C20 C21 2.4(8) . . . . ? C18 C19 C20 C21 -167.3(5) . . . . ? C19 C20 C21 C22 -3.9(8) . . . . ? C20 C21 C22 C23 179.6(5) . . . . ? C20 C21 C22 C27 3.9(8) . . . . ? C21 C22 C23 C24 -176.9(5) . . . . ? C27 C22 C23 C24 -1.2(8) . . . . ? C22 C23 C24 C25 0.3(8) . . . . ? C23 C24 C25 C26 -0.1(8) . . . . ? C24 C25 C26 C27 0.9(8) . . . . ? C25 C26 C27 C28 178.3(5) . . . . ? C25 C26 C27 C22 -1.8(8) . . . . ? C23 C22 C27 C26 1.9(8) . . . . ? C21 C22 C27 C26 177.6(5) . . . . ? C23 C22 C27 C28 -178.1(5) . . . . ? C21 C22 C27 C28 -2.4(8) . . . . ? C26 C27 C28 C19 -179.0(5) . . . . ? C22 C27 C28 C19 1.1(8) . . . . ? C20 C19 C28 C27 -1.0(8) . . . . ? C18 C19 C28 C27 169.7(5) . . . . ? F6 C29 C30 O3 -158.0(5) . . . . ? F4 C29 C30 O3 77.9(6) . . . . ? F5 C29 C30 O3 -36.7(7) . . . . ? F6 C29 C30 C31 21.6(8) . . . . ? F4 C29 C30 C31 -102.4(6) . . . . ? F5 C29 C30 C31 142.9(5) . . . . ? O3 C30 C31 C32 -7.2(9) . . . . ? C29 C30 C31 C32 173.3(5) . . . . ? C30 C31 C32 O4 -0.8(8) . . . . ? C30 C31 C32 C33 -174.8(5) . . . . ? O4 C32 C33 C34 166.2(5) . . . . ? C31 C32 C33 C34 -19.4(8) . . . . ? O4 C32 C33 C42 -10.1(7) . . . . ? C31 C32 C33 C42 164.2(5) . . . . ? C42 C33 C34 C35 2.3(9) . . . . ? C32 C33 C34 C35 -174.0(5) . . . . ? C33 C34 C35 C36 -2.3(9) . . . . ? C34 C35 C36 C37 -178.9(6) . . . . ? C34 C35 C36 C41 1.2(8) . . . . ? C35 C36 C37 C38 -179.0(6) . . . . ? C41 C36 C37 C38 0.9(9) . . . . ? C36 C37 C38 C39 0.0(9) . . . . ? C37 C38 C39 C40 -1.6(9) . . . . ? C38 C39 C40 C41 2.4(9) . . . . ? C39 C40 C41 C42 178.5(6) . . . . ? C39 C40 C41 C36 -1.5(9) . . . . ? C37 C36 C41 C42 179.9(5) . . . . ? C35 C36 C41 C42 -0.2(8) . . . . ? C37 C36 C41 C40 -0.1(8) . . . . ? C35 C36 C41 C40 179.8(5) . . . . ? C40 C41 C42 C33 -179.8(5) . . . . ? C36 C41 C42 C33 0.2(8) . . . . ? C34 C33 C42 C41 -1.2(8) . . . . ? C32 C33 C42 C41 175.2(5) . . . . ? F7 C43 C44 O5 -0.6(9) . . . . ? F8 C43 C44 O5 -126.8(6) . . . . ? F9 C43 C44 O5 121.8(6) . . . . ? F7 C43 C44 C45 170.8(5) . . . . ? F8 C43 C44 C45 44.6(8) . . . . ? F9 C43 C44 C45 -66.8(7) . . . . ? O5 C44 C45 C46 -7.4(9) . . . . ? C43 C44 C45 C46 -179.1(6) . . . . ? C44 C45 C46 O6 10.4(9) . . . . ? C44 C45 C46 C47 -170.9(6) . . . . ? O6 C46 C47 C48 -10.0(7) . . . . ? C45 C46 C47 C48 171.3(5) . . . . ? O6 C46 C47 C56 176.4(4) . . . . ? C45 C46 C47 C56 -2.3(7) . . . . ? C56 C47 C48 C49 2.8(7) . . . . ? C46 C47 C48 C49 -170.7(5) . . . . ? C47 C48 C49 C50 -4.0(8) . . . . ? C48 C49 C50 C55 4.0(8) . . . . ? C48 C49 C50 C51 -177.7(4) . . . . ? C49 C50 C51 C52 -178.3(4) . . . . ? C55 C50 C51 C52 0.0(6) . . . . ? C50 C51 C52 C53 -2.3(7) . . . . ? C51 C52 C53 C54 3.5(8) . . . . ? C52 C53 C54 C55 -2.3(8) . . . . ? C49 C50 C55 C54 179.4(4) . . . . ? C51 C50 C55 C54 1.1(6) . . . . ? C49 C50 C55 C56 -2.7(6) . . . . ? C51 C50 C55 C56 179.0(4) . . . . ? C53 C54 C55 C50 0.0(8) . . . . ? C53 C54 C55 C56 -177.9(5) . . . . ? C50 C55 C56 C47 1.4(7) . . . . ? C54 C55 C56 C47 179.4(4) . . . . ? C48 C47 C56 C55 -1.6(6) . . . . ? C46 C47 C56 C55 171.5(4) . . . . ? C1 C7 N1 Dy1 173.9(3) . . . . ? C8 C7 N1 Dy1 42.7(5) . . . . ? O4 Dy1 N1 C7 175.6(3) . . . . ? O3 Dy1 N1 C7 -14.7(4) . . . . ? O1 Dy1 N1 C7 55.8(3) . . . . ? O6 Dy1 N1 C7 -158.4(3) . . . . ? O2 Dy1 N1 C7 127.3(3) . . . . ? O5 Dy1 N1 C7 -90.3(3) . . . . ? N2 Dy1 N1 C7 -13.5(3) . . . . ? C9 C8 N2 Dy1 176.1(4) . . . . ? C7 C8 N2 Dy1 48.8(6) . . . . ? O4 Dy1 N2 C8 154.3(4) . . . . ? O3 Dy1 N2 C8 159.6(4) . . . . ? O1 Dy1 N2 C8 -112.8(4) . . . . ? O6 Dy1 N2 C8 30.9(4) . . . . ? O2 Dy1 N2 C8 -73.0(4) . . . . ? O5 Dy1 N2 C8 59.2(4) . . . . ? N1 Dy1 N2 C8 -19.5(4) . . . . ? C17 C16 O1 Dy1 15.1(8) . . . . ? C15 C16 O1 Dy1 -168.6(3) . . . . ? O4 Dy1 O1 C16 -84.9(3) . . . . ? O3 Dy1 O1 C16 -151.8(4) . . . . ? O6 Dy1 O1 C16 4.0(5) . . . . ? O2 Dy1 O1 C16 -11.0(3) . . . . ? O5 Dy1 O1 C16 125.6(3) . . . . ? N1 Dy1 O1 C16 71.8(3) . . . . ? N2 Dy1 O1 C16 137.2(4) . . . . ? C17 C18 O2 Dy1 15.9(7) . . . . ? C19 C18 O2 Dy1 -166.3(2) . . . . ? O4 Dy1 O2 C18 108.8(4) . . . . ? O3 Dy1 O2 C18 53.1(4) . . . . ? O1 Dy1 O2 C18 -3.8(3) . . . . ? O6 Dy1 O2 C18 -174.5(4) . . . . ? O5 Dy1 O2 C18 -144.8(3) . . . . ? N1 Dy1 O2 C18 -90.4(3) . . . . ? N2 Dy1 O2 C18 -43.0(4) . . . . ? C31 C30 O3 Dy1 2.4(9) . . . . ? C29 C30 O3 Dy1 -178.1(3) . . . . ? O4 Dy1 O3 C30 5.4(4) . . . . ? O1 Dy1 O3 C30 118.2(4) . . . . ? O6 Dy1 O3 C30 -42.3(5) . . . . ? O2 Dy1 O3 C30 64.8(4) . . . . ? O5 Dy1 O3 C30 -102.5(4) . . . . ? N1 Dy1 O3 C30 -169.9(4) . . . . ? N2 Dy1 O3 C30 -171.1(4) . . . . ? C31 C32 O4 Dy1 16.0(8) . . . . ? C33 C32 O4 Dy1 -170.0(3) . . . . ? O3 Dy1 O4 C32 -15.5(4) . . . . ? O1 Dy1 O4 C32 -88.5(5) . . . . ? O6 Dy1 O4 C32 130.0(5) . . . . ? O2 Dy1 O4 C32 -155.1(5) . . . . ? O5 Dy1 O4 C32 71.0(5) . . . . ? N1 Dy1 O4 C32 156.7(4) . . . . ? N2 Dy1 O4 C32 -10.3(6) . . . . ? C45 C44 O5 Dy1 22.3(9) . . . . ? C43 C44 O5 Dy1 -166.5(3) . . . . ? O4 Dy1 O5 C44 39.8(5) . . . . ? O3 Dy1 O5 C44 111.2(5) . . . . ? O1 Dy1 O5 C44 -170.6(5) . . . . ? O6 Dy1 O5 C44 -24.5(5) . . . . ? O2 Dy1 O5 C44 -55.6(5) . . . . ? N1 Dy1 O5 C44 -113.2(5) . . . . ? N2 Dy1 O5 C44 177.9(5) . . . . ? C45 C46 O6 Dy1 -27.9(7) . . . . ? C47 C46 O6 Dy1 153.3(3) . . . . ? O4 Dy1 O6 C46 -91.0(4) . . . . ? O3 Dy1 O6 C46 -44.4(4) . . . . ? O1 Dy1 O6 C46 168.8(4) . . . . ? O2 Dy1 O6 C46 -176.4(4) . . . . ? O5 Dy1 O6 C46 26.4(4) . . . . ? N1 Dy1 O6 C46 100.4(4) . . . . ? N2 Dy1 O6 C46 55.6(4) . . . . ? _diffrn_measured_fraction_theta_max 0.972 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.972 _refine_diff_density_max 1.277 _refine_diff_density_min -1.291 _refine_diff_density_rms 0.087 data_1 _database_code_depnum_ccdc_archive 'CCDC 783991' #TrackingRef '- 1a.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H40 Dy F9 N2 O6' _chemical_formula_weight 1170.40 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' Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 35.754(5) _cell_length_b 10.8207(15) _cell_length_c 27.295(4) _cell_angle_alpha 90.00 _cell_angle_beta 105.515(3) _cell_angle_gamma 90.00 _cell_volume 10175(2) _cell_formula_units_Z 8 _cell_measurement_temperature 291(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description sheet _exptl_crystal_colour colorless _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.22 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.528 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4680 _exptl_absorpt_coefficient_mu 1.554 _exptl_absorpt_correction_type Multi-Scan _exptl_absorpt_correction_T_min 0.6701 _exptl_absorpt_correction_T_max 0.7261 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 291(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 '4-circle diffractometer' _diffrn_measurement_method 'scintillation counter' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26280 _diffrn_reflns_av_R_equivalents 0.0316 _diffrn_reflns_av_sigmaI/netI 0.0421 _diffrn_reflns_limit_h_min -43 _diffrn_reflns_limit_h_max 44 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 1.68 _diffrn_reflns_theta_max 26.00 _reflns_number_total 9963 _reflns_number_gt 8334 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'Bruker SHELXTL' _computing_structure_refinement 'Bruker SHELXTL' _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^)+(0.0800P)^2^+1.9900P] 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 9963 _refine_ls_number_parameters 667 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0706 _refine_ls_R_factor_gt 0.0511 _refine_ls_wR_factor_ref 0.1269 _refine_ls_wR_factor_gt 0.1186 _refine_ls_goodness_of_fit_ref 1.064 _refine_ls_restrained_S_all 1.064 _refine_ls_shift/su_max 0.000 _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 0.06610(15) 0.5826(4) 0.98863(18) 0.0431(11) Uani 1 1 d . . . H1 H 0.0893 0.5390 0.9976 0.052 Uiso 1 1 calc R . . C2 C 0.04602(14) 0.6066(5) 1.02530(19) 0.0444(12) Uani 1 1 d . . . H2 H 0.0560 0.5804 1.0587 0.053 Uiso 1 1 calc R . . C3 C 0.01106(15) 0.6702(5) 1.0111(2) 0.0469(12) Uani 1 1 d . . . H3 H -0.0026 0.6853 1.0350 0.056 Uiso 1 1 calc R . . C4 C -0.00383(15) 0.7115(5) 0.9615(2) 0.0460(12) Uani 1 1 d . . . H4 H -0.0272 0.7542 0.9523 0.055 Uiso 1 1 calc R . . C5 C 0.01663(16) 0.6884(5) 0.9259(2) 0.0467(12) Uani 1 1 d . . . H5 H 0.0069 0.7165 0.8927 0.056 Uiso 1 1 calc R . . C6 C 0.05136(14) 0.6238(5) 0.93918(17) 0.0404(10) Uani 1 1 d . . . C7 C 0.07368(14) 0.5969(5) 0.89995(18) 0.0429(11) Uani 1 1 d . . . H7 H 0.0883 0.5194 0.9072 0.051 Uiso 1 1 calc R . . C8 C 0.04771(15) 0.6006(5) 0.84535(18) 0.0446(12) Uani 1 1 d . . . H8 H 0.0352 0.6812 0.8367 0.054 Uiso 1 1 calc R . . C9 C 0.01814(14) 0.4975(5) 0.84481(19) 0.0447(11) Uani 1 1 d . . . C10 C 0.03116(15) 0.3791(5) 0.85967(18) 0.0434(11) Uani 1 1 d . . . H10 H 0.0576 0.3635 0.8720 0.052 Uiso 1 1 calc R . . C11 C 0.00464(15) 0.2843(5) 0.8561(2) 0.0468(12) Uani 1 1 d . . . H11 H 0.0133 0.2046 0.8658 0.056 Uiso 1 1 calc R . . C12 C -0.03466(15) 0.3077(5) 0.83800(18) 0.0429(11) Uani 1 1 d . . . H12 H -0.0524 0.2439 0.8359 0.051 Uiso 1 1 calc R . . C13 C -0.04766(14) 0.4260(5) 0.82297(16) 0.0384(10) Uani 1 1 d . . . H13 H -0.0741 0.4414 0.8106 0.046 Uiso 1 1 calc R . . C14 C -0.02092(13) 0.5223(5) 0.82644(17) 0.0401(11) Uani 1 1 d . . . H14 H -0.0294 0.6020 0.8165 0.048 Uiso 1 1 calc R . . C15 C 0.06952(16) 1.0713(5) 0.80824(19) 0.0498(13) Uani 1 1 d . . . C16 C 0.07958(15) 0.9537(5) 0.78263(18) 0.0446(11) Uani 1 1 d . . . C17 C 0.07552(15) 0.9462(5) 0.73519(18) 0.0456(12) Uani 1 1 d . . . H17 H 0.0660 1.0148 0.7152 0.055 Uiso 1 1 calc R . . C18 C 0.08459(15) 0.8395(5) 0.71120(19) 0.0434(11) Uani 1 1 d . . . C19 C 0.08425(14) 0.8384(4) 0.65929(18) 0.0395(10) Uani 1 1 d . . . C20 C 0.07215(14) 0.9360(5) 0.62600(18) 0.0421(11) Uani 1 1 d . . . H20 H 0.0611 1.0056 0.6365 0.050 Uiso 1 1 calc R . . C21 C 0.07654(14) 0.9300(5) 0.57680(18) 0.0409(11) Uani 1 1 d . . . C22 C 0.06455(14) 1.0284(4) 0.54337(18) 0.0420(11) Uani 1 1 d . . . H22 H 0.0535 1.0980 0.5537 0.050 Uiso 1 1 calc R . . C23 C 0.06925(15) 1.0221(5) 0.49422(19) 0.0463(12) Uani 1 1 d . . . H23 H 0.0612 1.0878 0.4719 0.056 Uiso 1 1 calc R . . C24 C 0.08579(15) 0.9185(5) 0.47869(19) 0.0461(12) Uani 1 1 d . . . H24 H 0.0890 0.9148 0.4460 0.055 Uiso 1 1 calc R . . C25 C 0.09751(14) 0.8208(4) 0.51190(19) 0.0405(11) Uani 1 1 d . . . H25 H 0.1083 0.7506 0.5014 0.049 Uiso 1 1 calc R . . C26 C 0.09316(15) 0.8276(5) 0.5610(2) 0.0449(11) Uani 1 1 d . . . C27 C 0.10547(15) 0.7282(4) 0.59455(19) 0.0421(11) Uani 1 1 d . . . H27 H 0.1166 0.6588 0.5841 0.051 Uiso 1 1 calc R . . C28 C 0.10083(15) 0.7346(5) 0.6433(2) 0.0431(11) Uani 1 1 d . . . H28 H 0.1089 0.6689 0.6656 0.052 Uiso 1 1 calc R . . C29 C 0.20709(13) 0.9372(4) 0.94407(17) 0.0378(10) Uani 1 1 d . . . C30 C 0.19152(13) 0.8894(4) 0.89089(17) 0.0354(10) Uani 1 1 d . . . C31 C 0.20574(14) 0.9454(4) 0.85136(17) 0.0383(10) Uani 1 1 d . . . H31 H 0.2224 1.0131 0.8586 0.046 Uiso 1 1 calc R . . C32 C 0.19439(14) 0.8976(5) 0.80251(18) 0.0416(11) Uani 1 1 d . . . C33 C 0.20934(14) 0.9577(5) 0.76198(18) 0.0424(11) Uani 1 1 d . . . C34 C 0.23319(14) 1.0617(5) 0.77092(19) 0.0438(11) Uani 1 1 d . . . H34 H 0.2392 1.1000 0.8026 0.053 Uiso 1 1 calc R . . C35 C 0.24816(15) 1.1085(5) 0.73207(17) 0.0484(13) Uani 1 1 d . . . H35 H 0.2643 1.1775 0.7378 0.058 Uiso 1 1 calc R . . C36 C 0.23862(14) 1.0504(5) 0.68478(19) 0.0425(11) Uani 1 1 d . . . C37 C 0.25329(15) 1.0974(5) 0.64634(18) 0.0488(13) Uani 1 1 d . . . H37 H 0.2691 1.1671 0.6523 0.059 Uiso 1 1 calc R . . C38 C 0.24431(13) 1.0402(4) 0.59896(18) 0.0402(10) Uani 1 1 d . . . H38 H 0.2544 1.0708 0.5733 0.048 Uiso 1 1 calc R . . C39 C 0.22013(14) 0.9368(5) 0.59004(19) 0.0445(11) Uani 1 1 d . . . H39 H 0.2138 0.8990 0.5583 0.053 Uiso 1 1 calc R . . C40 C 0.20546(14) 0.8902(5) 0.62894(19) 0.0434(11) Uani 1 1 d . . . H40 H 0.1895 0.8208 0.6232 0.052 Uiso 1 1 calc R . . C41 C 0.21471(13) 0.9475(4) 0.67600(17) 0.0378(10) Uani 1 1 d . . . C42 C 0.20007(14) 0.9005(5) 0.71477(18) 0.0448(11) Uani 1 1 d . . . H42 H 0.1841 0.8311 0.7090 0.054 Uiso 1 1 calc R . . C43 C 0.16728(16) 0.3424(5) 0.9091(2) 0.0462(12) Uani 1 1 d . . . C44 C 0.15889(14) 0.4234(5) 0.86099(18) 0.0433(11) Uani 1 1 d . . . C45 C 0.16289(14) 0.3695(5) 0.81993(19) 0.0431(11) Uani 1 1 d . . . H45 H 0.1712 0.2878 0.8211 0.052 Uiso 1 1 calc R . . C46 C 0.15452(14) 0.4361(5) 0.77330(19) 0.0439(11) Uani 1 1 d . . . C47 C 0.15790(15) 0.3752(5) 0.72612(19) 0.0463(12) Uani 1 1 d . . . C48 C 0.16761(14) 0.4472(4) 0.68921(18) 0.0418(11) Uani 1 1 d . . . H48 H 0.1739 0.5300 0.6958 0.050 Uiso 1 1 calc R . . C49 C 0.16804(13) 0.3970(5) 0.64267(18) 0.0400(10) Uani 1 1 d . . . C50 C 0.17790(15) 0.4689(5) 0.60607(18) 0.0443(11) Uani 1 1 d . . . H50 H 0.1844 0.5516 0.6128 0.053 Uiso 1 1 calc R . . C51 C 0.17822(15) 0.4185(5) 0.55907(19) 0.0443(11) Uani 1 1 d . . . H51 H 0.1853 0.4669 0.5348 0.053 Uiso 1 1 calc R . . C52 C 0.16787(14) 0.2956(5) 0.54877(19) 0.0433(11) Uani 1 1 d . . . H52 H 0.1679 0.2616 0.5175 0.052 Uiso 1 1 calc R . . C53 C 0.15739(15) 0.2231(5) 0.5852(2) 0.0451(11) Uani 1 1 d . . . H53 H 0.1502 0.1411 0.5781 0.054 Uiso 1 1 calc R . . C54 C 0.15770(14) 0.2736(5) 0.63264(19) 0.0457(12) Uani 1 1 d . . . C55 C 0.14727(15) 0.2021(5) 0.6685(2) 0.0450(11) Uani 1 1 d . . . H55 H 0.1401 0.1200 0.6614 0.054 Uiso 1 1 calc R . . C56 C 0.14738(14) 0.2522(5) 0.71555(19) 0.0408(10) Uani 1 1 d . . . H56 H 0.1404 0.2036 0.7398 0.049 Uiso 1 1 calc R . . Dy1 Dy 0.127890(6) 0.69891(2) 0.821229(7) 0.03674(9) Uani 1 1 d . . . F1 F 0.09699(9) 1.1422(3) 0.83034(11) 0.0517(7) Uani 1 1 d . . . F2 F 0.05384(8) 1.0407(3) 0.84344(11) 0.0487(7) Uani 1 1 d . . . F3 F 0.04071(8) 1.1219(3) 0.77812(10) 0.0465(7) Uani 1 1 d . . . F4 F 0.18121(8) 0.9657(3) 0.96658(10) 0.0435(6) Uani 1 1 d . . . F5 F 0.22699(8) 0.8561(3) 0.97269(11) 0.0473(7) Uani 1 1 d . . . F6 F 0.23068(9) 1.0286(3) 0.94834(11) 0.0520(7) Uani 1 1 d . . . F7 F 0.13580(8) 0.3273(2) 0.92239(10) 0.0436(6) Uani 1 1 d . . . F8 F 0.18449(8) 0.2413(3) 0.90710(11) 0.0476(7) Uani 1 1 d . . . F9 F 0.19116(8) 0.3859(3) 0.94819(10) 0.0473(7) Uani 1 1 d . . . N1 N 0.09981(12) 0.7052(4) 0.89567(15) 0.0403(9) Uani 1 1 d . . . H1A H 0.1195 0.7084 0.9242 0.048 Uiso 1 1 calc R . . H1B H 0.0861 0.7755 0.8940 0.048 Uiso 1 1 calc R . . N2 N 0.06972(11) 0.5616(4) 0.80810(15) 0.0404(9) Uani 1 1 d . . . H2A H 0.0546 0.5692 0.7761 0.048 Uiso 1 1 calc R . . H2B H 0.0772 0.4822 0.8134 0.048 Uiso 1 1 calc R . . O1 O 0.09113(10) 0.8813(3) 0.81885(12) 0.0450(8) Uani 1 1 d . . . O2 O 0.08944(10) 0.7400(3) 0.73480(12) 0.0425(8) Uani 1 1 d . . . O3 O 0.16895(10) 0.8005(3) 0.88777(12) 0.0410(7) Uani 1 1 d . . . O4 O 0.17036(10) 0.8154(3) 0.78851(13) 0.0446(8) Uani 1 1 d . . . O5 O 0.15260(9) 0.5294(3) 0.87274(11) 0.0364(7) Uani 1 1 d . . . O6 O 0.14631(9) 0.5488(3) 0.77342(12) 0.0404(7) 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 0.051(3) 0.034(2) 0.043(3) -0.008(2) 0.010(2) 0.005(2) C2 0.044(3) 0.046(3) 0.045(3) 0.004(2) 0.016(2) -0.018(2) C3 0.042(3) 0.051(3) 0.050(3) -0.010(2) 0.015(2) -0.016(2) C4 0.041(3) 0.050(3) 0.050(3) -0.010(2) 0.017(2) -0.007(2) C5 0.052(3) 0.043(3) 0.044(3) -0.011(2) 0.012(2) 0.014(2) C6 0.044(3) 0.040(2) 0.039(2) -0.010(2) 0.014(2) 0.003(2) C7 0.036(2) 0.049(3) 0.048(3) -0.002(2) 0.018(2) -0.008(2) C8 0.050(3) 0.047(3) 0.042(3) -0.020(2) 0.021(2) -0.016(2) C9 0.041(3) 0.043(3) 0.050(3) -0.005(2) 0.013(2) -0.007(2) C10 0.045(3) 0.041(3) 0.047(3) -0.015(2) 0.019(2) 0.003(2) C11 0.050(3) 0.044(3) 0.048(3) 0.013(2) 0.016(2) 0.005(2) C12 0.047(3) 0.039(3) 0.045(3) -0.020(2) 0.018(2) -0.001(2) C13 0.037(2) 0.047(3) 0.032(2) -0.001(2) 0.0117(18) -0.003(2) C14 0.042(2) 0.050(3) 0.034(2) 0.013(2) 0.0198(19) -0.001(2) C15 0.051(3) 0.049(3) 0.043(3) -0.009(2) -0.001(2) 0.012(3) C16 0.049(3) 0.044(3) 0.034(2) -0.001(2) 0.001(2) 0.012(2) C17 0.047(3) 0.048(3) 0.039(3) 0.001(2) 0.005(2) 0.017(2) C18 0.043(3) 0.040(3) 0.044(3) -0.004(2) 0.005(2) 0.004(2) C19 0.036(2) 0.036(2) 0.047(3) 0.001(2) 0.012(2) -0.003(2) C20 0.045(3) 0.036(2) 0.045(3) -0.008(2) 0.009(2) 0.006(2) C21 0.041(2) 0.040(3) 0.042(2) -0.006(2) 0.013(2) 0.008(2) C22 0.043(3) 0.034(2) 0.048(3) -0.010(2) 0.009(2) 0.004(2) C23 0.047(3) 0.042(3) 0.048(3) 0.008(2) 0.010(2) 0.014(2) C24 0.053(3) 0.043(3) 0.042(3) -0.007(2) 0.014(2) 0.005(2) C25 0.043(3) 0.029(2) 0.051(3) -0.012(2) 0.014(2) 0.0028(19) C26 0.045(3) 0.043(3) 0.049(3) 0.003(2) 0.017(2) 0.014(2) C27 0.042(3) 0.034(2) 0.048(3) -0.007(2) 0.008(2) 0.005(2) C28 0.044(3) 0.038(2) 0.050(3) 0.007(2) 0.017(2) 0.001(2) C29 0.038(2) 0.038(2) 0.037(2) 0.0074(19) 0.0104(19) 0.001(2) C30 0.033(2) 0.036(2) 0.040(2) -0.0115(19) 0.0136(18) 0.0066(19) C31 0.039(2) 0.037(2) 0.035(2) 0.0085(19) 0.0019(18) 0.004(2) C32 0.038(2) 0.047(3) 0.040(2) 0.005(2) 0.012(2) -0.003(2) C33 0.042(3) 0.045(3) 0.041(2) 0.008(2) 0.012(2) -0.002(2) C34 0.040(3) 0.050(3) 0.044(3) -0.008(2) 0.017(2) -0.004(2) C35 0.052(3) 0.048(3) 0.034(2) 0.014(2) -0.007(2) -0.015(2) C36 0.042(3) 0.044(3) 0.045(3) -0.004(2) 0.018(2) -0.002(2) C37 0.048(3) 0.051(3) 0.039(3) 0.012(2) -0.003(2) -0.015(2) C38 0.038(2) 0.043(3) 0.042(2) 0.012(2) 0.015(2) 0.009(2) C39 0.044(3) 0.050(3) 0.043(3) -0.010(2) 0.017(2) 0.001(2) C40 0.036(2) 0.047(3) 0.049(3) -0.003(2) 0.014(2) -0.008(2) C41 0.032(2) 0.041(3) 0.037(2) 0.0095(19) 0.0045(18) 0.0003(19) C42 0.038(2) 0.053(3) 0.044(3) 0.000(2) 0.012(2) -0.010(2) C43 0.048(3) 0.039(3) 0.051(3) 0.008(2) 0.012(2) -0.001(2) C44 0.044(3) 0.040(3) 0.043(3) -0.001(2) 0.006(2) -0.003(2) C45 0.043(3) 0.037(2) 0.044(3) -0.001(2) 0.002(2) 0.008(2) C46 0.038(3) 0.048(3) 0.048(3) 0.006(2) 0.016(2) 0.014(2) C47 0.040(3) 0.055(3) 0.040(2) -0.009(2) 0.004(2) -0.013(2) C48 0.043(3) 0.036(2) 0.042(2) 0.001(2) 0.004(2) 0.005(2) C49 0.035(2) 0.041(3) 0.042(2) 0.002(2) 0.0064(19) 0.003(2) C50 0.048(3) 0.038(3) 0.045(3) 0.000(2) 0.008(2) 0.005(2) C51 0.049(3) 0.041(3) 0.044(3) 0.011(2) 0.014(2) 0.017(2) C52 0.041(3) 0.047(3) 0.044(3) -0.008(2) 0.015(2) 0.016(2) C53 0.043(3) 0.040(3) 0.048(3) -0.005(2) 0.005(2) 0.004(2) C54 0.038(3) 0.053(3) 0.042(3) -0.011(2) 0.005(2) -0.016(2) C55 0.043(3) 0.037(3) 0.051(3) -0.001(2) 0.006(2) 0.004(2) C56 0.035(2) 0.042(3) 0.041(2) 0.011(2) 0.0036(19) 0.003(2) Dy1 0.04308(14) 0.03613(13) 0.03248(13) 0.00127(9) 0.01268(9) -0.00808(10) F1 0.0502(17) 0.0493(17) 0.0473(16) -0.0137(14) -0.0013(13) 0.0143(14) F2 0.0528(17) 0.0445(16) 0.0456(15) -0.0110(13) 0.0077(13) 0.0206(13) F3 0.0429(15) 0.0501(17) 0.0461(15) 0.0018(13) 0.0111(12) 0.0126(13) F4 0.0482(15) 0.0419(15) 0.0411(14) -0.0131(12) 0.0129(12) 0.0136(12) F5 0.0381(15) 0.0460(16) 0.0504(16) 0.0101(13) -0.0009(12) 0.0111(13) F6 0.0531(17) 0.0463(16) 0.0528(17) -0.0087(14) 0.0075(13) -0.0124(14) F7 0.0395(15) 0.0380(14) 0.0493(16) 0.0063(12) 0.0048(12) 0.0159(12) F8 0.0463(16) 0.0503(17) 0.0497(16) 0.0151(14) 0.0187(13) 0.0134(14) F9 0.0515(16) 0.0461(16) 0.0445(15) 0.0172(13) 0.0129(13) -0.0119(13) N1 0.041(2) 0.044(2) 0.036(2) 0.0020(17) 0.0100(16) -0.0029(18) N2 0.0327(19) 0.041(2) 0.048(2) -0.0057(18) 0.0132(17) 0.0013(17) O1 0.050(2) 0.0405(18) 0.0414(18) 0.0037(15) 0.0073(15) 0.0040(16) O2 0.0447(19) 0.0435(19) 0.0363(17) -0.0003(15) 0.0058(14) -0.0001(15) O3 0.0416(18) 0.0438(19) 0.0364(16) 0.0052(14) 0.0082(13) -0.0052(15) O4 0.0464(19) 0.046(2) 0.0408(17) 0.0089(15) 0.0111(15) -0.0084(16) O5 0.0379(16) 0.0392(17) 0.0333(15) 0.0007(13) 0.0115(13) -0.0070(14) O6 0.0417(18) 0.0435(19) 0.0382(17) 0.0065(14) 0.0149(14) -0.0004(15) _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 C6 1.385(7) . ? C1 C2 1.403(7) . ? C1 H1 0.9300 . ? C2 C3 1.388(8) . ? C2 H2 0.9300 . ? C3 C4 1.389(8) . ? C3 H3 0.9300 . ? C4 C5 1.387(7) . ? C4 H4 0.9300 . ? C5 C6 1.386(7) . ? C5 H5 0.9300 . ? C6 C7 1.525(6) . ? C7 N1 1.522(6) . ? C7 C8 1.531(7) . ? C7 H7 0.9800 . ? C8 N2 1.503(6) . ? C8 C9 1.534(7) . ? C8 H8 0.9800 . ? C9 C14 1.378(7) . ? C9 C10 1.386(7) . ? C10 C11 1.383(7) . ? C10 H10 0.9300 . ? C11 C12 1.383(7) . ? C11 H11 0.9300 . ? C12 C13 1.386(7) . ? C12 H12 0.9300 . ? C13 C14 1.400(7) . ? C13 H13 0.9300 . ? C14 H14 0.9300 . ? C15 F3 1.258(6) . ? C15 F1 1.265(6) . ? C15 F2 1.279(6) . ? C15 C16 1.540(7) . ? C16 O1 1.243(6) . ? C16 C17 1.267(7) . ? C17 C18 1.407(7) . ? C17 H17 0.9300 . ? C18 O2 1.243(6) . ? C18 C19 1.414(7) . ? C19 C20 1.384(7) . ? C19 C28 1.394(7) . ? C20 C21 1.395(7) . ? C20 H20 0.9300 . ? C21 C26 1.380(7) . ? C21 C22 1.393(7) . ? C22 C23 1.398(7) . ? C22 H22 0.9300 . ? C23 C24 1.386(7) . ? C23 H23 0.9300 . ? C24 C25 1.383(7) . ? C24 H24 0.9300 . ? C25 C26 1.392(7) . ? C25 H25 0.9300 . ? C26 C27 1.404(7) . ? C27 C28 1.386(7) . ? C27 H27 0.9300 . ? C28 H28 0.9300 . ? C29 F5 1.261(5) . ? C29 F4 1.278(5) . ? C29 F6 1.284(5) . ? C29 C30 1.501(6) . ? C30 O3 1.244(6) . ? C30 C31 1.444(6) . ? C31 C32 1.386(7) . ? C31 H31 0.9300 . ? C32 O4 1.224(6) . ? C32 C33 1.499(6) . ? C33 C42 1.387(7) . ? C33 C34 1.393(7) . ? C34 C35 1.404(7) . ? C34 H34 0.9300 . ? C35 C36 1.394(7) . ? C35 H35 0.9300 . ? C36 C41 1.385(7) . ? C36 C37 1.389(7) . ? C37 C38 1.392(7) . ? C37 H37 0.9300 . ? C38 C39 1.395(7) . ? C38 H38 0.9300 . ? C39 C40 1.398(7) . ? C39 H39 0.9300 . ? C40 C41 1.385(7) . ? C40 H40 0.9300 . ? C41 C42 1.396(6) . ? C42 H42 0.9300 . ? C43 F8 1.263(6) . ? C43 F9 1.265(6) . ? C43 F7 1.282(6) . ? C43 C44 1.541(7) . ? C44 O5 1.227(6) . ? C44 C45 1.305(7) . ? C45 C46 1.423(7) . ? C45 H45 0.9300 . ? C46 O6 1.254(6) . ? C46 C47 1.480(7) . ? C47 C48 1.389(7) . ? C47 C56 1.392(8) . ? C48 C49 1.385(7) . ? C48 H48 0.9300 . ? C49 C50 1.384(7) . ? C49 C54 1.393(7) . ? C50 C51 1.397(7) . ? C50 H50 0.9300 . ? C51 C52 1.389(7) . ? C51 H51 0.9300 . ? C52 C53 1.395(7) . ? C52 H52 0.9300 . ? C53 C54 1.402(7) . ? C53 H53 0.9300 . ? C54 C55 1.376(7) . ? C55 C56 1.392(7) . ? C55 H55 0.9300 . ? C56 H56 0.9300 . ? Dy1 O6 2.288(3) . ? Dy1 O3 2.288(3) . ? Dy1 O4 2.328(3) . ? Dy1 O5 2.336(3) . ? Dy1 O1 2.362(3) . ? Dy1 O2 2.433(3) . ? Dy1 N1 2.496(4) . ? Dy1 N2 2.502(4) . ? N1 H1A 0.9000 . ? N1 H1B 0.9000 . ? N2 H2A 0.9000 . ? N2 H2B 0.9000 . ? 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 C6 C1 C2 120.1(5) . . ? C6 C1 H1 119.9 . . ? C2 C1 H1 119.9 . . ? C3 C2 C1 119.1(5) . . ? C3 C2 H2 120.5 . . ? C1 C2 H2 120.5 . . ? C2 C3 C4 120.9(5) . . ? C2 C3 H3 119.5 . . ? C4 C3 H3 119.5 . . ? C5 C4 C3 119.2(5) . . ? C5 C4 H4 120.4 . . ? C3 C4 H4 120.4 . . ? C6 C5 C4 120.7(5) . . ? C6 C5 H5 119.7 . . ? C4 C5 H5 119.7 . . ? C1 C6 C5 119.9(4) . . ? C1 C6 C7 119.3(4) . . ? C5 C6 C7 120.8(5) . . ? N1 C7 C6 110.8(4) . . ? N1 C7 C8 97.5(4) . . ? C6 C7 C8 112.6(4) . . ? N1 C7 H7 111.7 . . ? C6 C7 H7 111.7 . . ? C8 C7 H7 111.7 . . ? N2 C8 C7 111.1(4) . . ? N2 C8 C9 105.9(4) . . ? C7 C8 C9 103.2(4) . . ? N2 C8 H8 112.0 . . ? C7 C8 H8 112.0 . . ? C9 C8 H8 112.0 . . ? C14 C9 C10 121.0(5) . . ? C14 C9 C8 119.4(5) . . ? C10 C9 C8 119.5(5) . . ? C11 C10 C9 119.7(5) . . ? C11 C10 H10 120.2 . . ? C9 C10 H10 120.2 . . ? C12 C11 C10 120.1(5) . . ? C12 C11 H11 120.0 . . ? C10 C11 H11 120.0 . . ? C11 C12 C13 120.2(5) . . ? C11 C12 H12 119.9 . . ? C13 C12 H12 119.9 . . ? C12 C13 C14 119.9(4) . . ? C12 C13 H13 120.1 . . ? C14 C13 H13 120.1 . . ? C9 C14 C13 119.1(5) . . ? C9 C14 H14 120.4 . . ? C13 C14 H14 120.4 . . ? F3 C15 F1 116.3(5) . . ? F3 C15 F2 99.0(4) . . ? F1 C15 F2 103.8(4) . . ? F3 C15 C16 108.2(4) . . ? F1 C15 C16 118.1(5) . . ? F2 C15 C16 109.2(5) . . ? O1 C16 C17 134.1(5) . . ? O1 C16 C15 103.2(4) . . ? C17 C16 C15 122.7(5) . . ? C16 C17 C18 123.4(5) . . ? C16 C17 H17 118.3 . . ? C18 C17 H17 118.3 . . ? O2 C18 C17 119.2(5) . . ? O2 C18 C19 118.4(5) . . ? C17 C18 C19 122.1(5) . . ? C20 C19 C28 119.6(4) . . ? C20 C19 C18 124.7(5) . . ? C28 C19 C18 115.5(5) . . ? C19 C20 C21 120.0(4) . . ? C19 C20 H20 120.0 . . ? C21 C20 H20 120.0 . . ? C26 C21 C22 119.5(4) . . ? C26 C21 C20 120.5(5) . . ? C22 C21 C20 120.1(4) . . ? C21 C22 C23 119.8(4) . . ? C21 C22 H22 120.1 . . ? C23 C22 H22 120.1 . . ? C24 C23 C22 120.2(5) . . ? C24 C23 H23 119.9 . . ? C22 C23 H23 119.9 . . ? C25 C24 C23 119.8(5) . . ? C25 C24 H24 120.1 . . ? C23 C24 H24 120.1 . . ? C24 C25 C26 119.9(4) . . ? C24 C25 H25 120.0 . . ? C26 C25 H25 120.0 . . ? C21 C26 C25 120.7(5) . . ? C21 C26 C27 119.8(5) . . ? C25 C26 C27 119.4(5) . . ? C28 C27 C26 119.3(5) . . ? C28 C27 H27 120.3 . . ? C26 C27 H27 120.3 . . ? C27 C28 C19 120.7(5) . . ? C27 C28 H28 119.6 . . ? C19 C28 H28 119.6 . . ? F5 C29 F4 103.4(4) . . ? F5 C29 F6 103.4(4) . . ? F4 C29 F6 108.2(4) . . ? F5 C29 C30 111.1(4) . . ? F4 C29 C30 114.8(4) . . ? F6 C29 C30 114.7(4) . . ? O3 C30 C31 128.7(4) . . ? O3 C30 C29 113.5(4) . . ? C31 C30 C29 117.7(4) . . ? C32 C31 C30 119.4(4) . . ? C32 C31 H31 120.3 . . ? C30 C31 H31 120.3 . . ? O4 C32 C31 124.9(4) . . ? O4 C32 C33 116.3(4) . . ? C31 C32 C33 118.5(4) . . ? C42 C33 C34 120.4(4) . . ? C42 C33 C32 116.6(4) . . ? C34 C33 C32 122.9(5) . . ? C33 C34 C35 119.9(5) . . ? C33 C34 H34 120.1 . . ? C35 C34 H34 120.1 . . ? C36 C35 C34 119.2(5) . . ? C36 C35 H35 120.4 . . ? C34 C35 H35 120.4 . . ? C41 C36 C37 120.3(5) . . ? C41 C36 C35 120.7(4) . . ? C37 C36 C35 119.1(5) . . ? C36 C37 C38 119.9(5) . . ? C36 C37 H37 120.0 . . ? C38 C37 H37 120.0 . . ? C37 C38 C39 119.8(4) . . ? C37 C38 H38 120.1 . . ? C39 C38 H38 120.1 . . ? C38 C39 C40 119.9(5) . . ? C38 C39 H39 120.1 . . ? C40 C39 H39 120.1 . . ? C41 C40 C39 119.9(5) . . ? C41 C40 H40 120.1 . . ? C39 C40 H40 120.1 . . ? C40 C41 C36 120.3(4) . . ? C40 C41 C42 119.7(4) . . ? C36 C41 C42 120.1(5) . . ? C33 C42 C41 119.8(5) . . ? C33 C42 H42 120.1 . . ? C41 C42 H42 120.1 . . ? F8 C43 F9 97.6(4) . . ? F8 C43 F7 112.2(4) . . ? F9 C43 F7 104.8(4) . . ? F8 C43 C44 116.2(4) . . ? F9 C43 C44 116.1(4) . . ? F7 C43 C44 109.1(4) . . ? O5 C44 C45 135.4(5) . . ? O5 C44 C43 108.4(4) . . ? C45 C44 C43 115.9(5) . . ? C44 C45 C46 119.7(5) . . ? C44 C45 H45 120.1 . . ? C46 C45 H45 120.1 . . ? O6 C46 C45 118.9(5) . . ? O6 C46 C47 120.6(5) . . ? C45 C46 C47 120.4(5) . . ? C48 C47 C56 119.5(5) . . ? C48 C47 C46 118.4(5) . . ? C56 C47 C46 121.7(5) . . ? C49 C48 C47 120.8(5) . . ? C49 C48 H48 119.6 . . ? C47 C48 H48 119.6 . . ? C50 C49 C48 120.6(5) . . ? C50 C49 C54 120.2(5) . . ? C48 C49 C54 119.2(5) . . ? C49 C50 C51 120.6(5) . . ? C49 C50 H50 119.7 . . ? C51 C50 H50 119.7 . . ? C52 C51 C50 119.5(5) . . ? C52 C51 H51 120.2 . . ? C50 C51 H51 120.2 . . ? C51 C52 C53 120.1(5) . . ? C51 C52 H52 119.9 . . ? C53 C52 H52 119.9 . . ? C52 C53 C54 120.1(5) . . ? C52 C53 H53 119.9 . . ? C54 C53 H53 119.9 . . ? C55 C54 C49 120.5(5) . . ? C55 C54 C53 120.1(5) . . ? C49 C54 C53 119.4(5) . . ? C54 C55 C56 120.2(5) . . ? C54 C55 H55 119.9 . . ? C56 C55 H55 119.9 . . ? C55 C56 C47 119.8(5) . . ? C55 C56 H56 120.1 . . ? C47 C56 H56 120.1 . . ? O6 Dy1 O3 124.92(12) . . ? O6 Dy1 O4 81.31(12) . . ? O3 Dy1 O4 72.45(12) . . ? O6 Dy1 O5 70.47(11) . . ? O3 Dy1 O5 80.83(11) . . ? O4 Dy1 O5 118.41(11) . . ? O6 Dy1 O1 145.11(11) . . ? O3 Dy1 O1 81.64(12) . . ? O4 Dy1 O1 87.26(12) . . ? O5 Dy1 O1 142.23(11) . . ? O6 Dy1 O2 75.57(12) . . ? O3 Dy1 O2 139.30(11) . . ? O4 Dy1 O2 77.67(12) . . ? O5 Dy1 O2 138.73(11) . . ? O1 Dy1 O2 69.81(12) . . ? O6 Dy1 N1 136.33(12) . . ? O3 Dy1 N1 69.71(13) . . ? O4 Dy1 N1 138.00(13) . . ? O5 Dy1 N1 72.61(12) . . ? O1 Dy1 N1 69.98(13) . . ? O2 Dy1 N1 122.57(13) . . ? O6 Dy1 N2 81.48(12) . . ? O3 Dy1 N2 136.97(12) . . ? O4 Dy1 N2 150.35(13) . . ? O5 Dy1 N2 77.65(12) . . ? O1 Dy1 N2 93.26(13) . . ? O2 Dy1 N2 74.76(13) . . ? N1 Dy1 N2 68.46(13) . . ? C7 N1 Dy1 115.5(3) . . ? C7 N1 H1A 108.4 . . ? Dy1 N1 H1A 108.4 . . ? C7 N1 H1B 108.4 . . ? Dy1 N1 H1B 108.4 . . ? H1A N1 H1B 107.5 . . ? C8 N2 Dy1 107.6(3) . . ? C8 N2 H2A 110.2 . . ? Dy1 N2 H2A 110.2 . . ? C8 N2 H2B 110.2 . . ? Dy1 N2 H2B 110.2 . . ? H2A N2 H2B 108.5 . . ? C16 O1 Dy1 127.8(3) . . ? C18 O2 Dy1 128.7(3) . . ? C30 O3 Dy1 133.8(3) . . ? C32 O4 Dy1 138.5(3) . . ? C44 O5 Dy1 130.0(3) . . ? C46 O6 Dy1 142.6(3) . . ? 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 C6 C1 C2 C3 1.0(7) . . . . ? C1 C2 C3 C4 -1.0(7) . . . . ? C2 C3 C4 C5 0.2(8) . . . . ? C3 C4 C5 C6 0.6(8) . . . . ? C2 C1 C6 C5 -0.2(8) . . . . ? C2 C1 C6 C7 179.9(4) . . . . ? C4 C5 C6 C1 -0.6(8) . . . . ? C4 C5 C6 C7 179.3(5) . . . . ? C1 C6 C7 N1 -94.7(6) . . . . ? C5 C6 C7 N1 85.4(6) . . . . ? C1 C6 C7 C8 157.3(5) . . . . ? C5 C6 C7 C8 -22.6(7) . . . . ? N1 C7 C8 N2 69.3(5) . . . . ? C6 C7 C8 N2 -174.4(4) . . . . ? N1 C7 C8 C9 -177.6(4) . . . . ? C6 C7 C8 C9 -61.4(5) . . . . ? N2 C8 C9 C14 -113.7(5) . . . . ? C7 C8 C9 C14 129.4(5) . . . . ? N2 C8 C9 C10 62.1(6) . . . . ? C7 C8 C9 C10 -54.7(6) . . . . ? C14 C9 C10 C11 0.0(7) . . . . ? C8 C9 C10 C11 -175.8(4) . . . . ? C9 C10 C11 C12 -0.4(7) . . . . ? C10 C11 C12 C13 0.6(7) . . . . ? C11 C12 C13 C14 -0.4(7) . . . . ? C10 C9 C14 C13 0.1(7) . . . . ? C8 C9 C14 C13 175.9(4) . . . . ? C12 C13 C14 C9 0.1(7) . . . . ? F3 C15 C16 O1 -145.6(5) . . . . ? F1 C15 C16 O1 79.6(6) . . . . ? F2 C15 C16 O1 -38.7(6) . . . . ? F3 C15 C16 C17 34.5(8) . . . . ? F1 C15 C16 C17 -100.4(7) . . . . ? F2 C15 C16 C17 141.3(5) . . . . ? O1 C16 C17 C18 0.0(11) . . . . ? C15 C16 C17 C18 180.0(5) . . . . ? C16 C17 C18 O2 14.9(9) . . . . ? C16 C17 C18 C19 -172.2(5) . . . . ? O2 C18 C19 C20 167.4(5) . . . . ? C17 C18 C19 C20 -5.6(8) . . . . ? O2 C18 C19 C28 -18.8(7) . . . . ? C17 C18 C19 C28 168.2(5) . . . . ? C28 C19 C20 C21 0.1(7) . . . . ? C18 C19 C20 C21 173.7(5) . . . . ? C19 C20 C21 C26 -0.5(8) . . . . ? C19 C20 C21 C22 -179.7(5) . . . . ? C26 C21 C22 C23 0.4(8) . . . . ? C20 C21 C22 C23 179.6(5) . . . . ? C21 C22 C23 C24 0.0(8) . . . . ? C22 C23 C24 C25 0.3(8) . . . . ? C23 C24 C25 C26 -0.9(8) . . . . ? C22 C21 C26 C25 -1.0(8) . . . . ? C20 C21 C26 C25 179.8(5) . . . . ? C22 C21 C26 C27 179.7(5) . . . . ? C20 C21 C26 C27 0.5(8) . . . . ? C24 C25 C26 C21 1.3(8) . . . . ? C24 C25 C26 C27 -179.5(5) . . . . ? C21 C26 C27 C28 -0.2(8) . . . . ? C25 C26 C27 C28 -179.5(5) . . . . ? C26 C27 C28 C19 -0.2(8) . . . . ? C20 C19 C28 C27 0.2(7) . . . . ? C18 C19 C28 C27 -173.9(5) . . . . ? F5 C29 C30 O3 62.7(5) . . . . ? F4 C29 C30 O3 -54.1(5) . . . . ? F6 C29 C30 O3 179.6(4) . . . . ? F5 C29 C30 C31 -113.9(4) . . . . ? F4 C29 C30 C31 129.2(4) . . . . ? F6 C29 C30 C31 2.9(6) . . . . ? O3 C30 C31 C32 -1.1(7) . . . . ? C29 C30 C31 C32 175.0(4) . . . . ? C30 C31 C32 O4 6.0(8) . . . . ? C30 C31 C32 C33 179.7(4) . . . . ? O4 C32 C33 C42 -11.3(7) . . . . ? C31 C32 C33 C42 174.5(5) . . . . ? O4 C32 C33 C34 172.3(5) . . . . ? C31 C32 C33 C34 -2.0(7) . . . . ? C42 C33 C34 C35 -0.4(8) . . . . ? C32 C33 C34 C35 175.9(5) . . . . ? C33 C34 C35 C36 0.5(8) . . . . ? C34 C35 C36 C41 -0.1(8) . . . . ? C34 C35 C36 C37 179.6(5) . . . . ? C41 C36 C37 C38 -0.7(8) . . . . ? C35 C36 C37 C38 179.6(5) . . . . ? C36 C37 C38 C39 0.9(7) . . . . ? C37 C38 C39 C40 -0.9(7) . . . . ? C38 C39 C40 C41 0.6(7) . . . . ? C39 C40 C41 C36 -0.4(7) . . . . ? C39 C40 C41 C42 -179.9(5) . . . . ? C37 C36 C41 C40 0.4(7) . . . . ? C35 C36 C41 C40 -179.9(5) . . . . ? C37 C36 C41 C42 179.9(5) . . . . ? C35 C36 C41 C42 -0.3(8) . . . . ? C34 C33 C42 C41 0.0(8) . . . . ? C32 C33 C42 C41 -176.6(4) . . . . ? C40 C41 C42 C33 179.9(5) . . . . ? C36 C41 C42 C33 0.4(7) . . . . ? F8 C43 C44 O5 -161.2(4) . . . . ? F9 C43 C44 O5 -47.3(6) . . . . ? F7 C43 C44 O5 70.8(5) . . . . ? F8 C43 C44 C45 13.8(7) . . . . ? F9 C43 C44 C45 127.7(5) . . . . ? F7 C43 C44 C45 -114.3(5) . . . . ? O5 C44 C45 C46 -8.8(10) . . . . ? C43 C44 C45 C46 177.9(5) . . . . ? C44 C45 C46 O6 5.5(8) . . . . ? C44 C45 C46 C47 -178.4(5) . . . . ? O6 C46 C47 C48 25.9(7) . . . . ? C45 C46 C47 C48 -150.2(5) . . . . ? O6 C46 C47 C56 -146.7(5) . . . . ? C45 C46 C47 C56 37.2(7) . . . . ? C56 C47 C48 C49 -1.9(7) . . . . ? C46 C47 C48 C49 -174.6(4) . . . . ? C47 C48 C49 C50 -179.7(5) . . . . ? C47 C48 C49 C54 1.5(7) . . . . ? C48 C49 C50 C51 -179.8(5) . . . . ? C54 C49 C50 C51 -1.0(7) . . . . ? C49 C50 C51 C52 1.1(7) . . . . ? C50 C51 C52 C53 -0.3(7) . . . . ? C51 C52 C53 C54 -0.8(8) . . . . ? C50 C49 C54 C55 -179.0(5) . . . . ? C48 C49 C54 C55 -0.2(7) . . . . ? C50 C49 C54 C53 0.0(7) . . . . ? C48 C49 C54 C53 178.8(5) . . . . ? C52 C53 C54 C55 179.9(5) . . . . ? C52 C53 C54 C49 0.9(8) . . . . ? C49 C54 C55 C56 -0.7(8) . . . . ? C53 C54 C55 C56 -179.7(5) . . . . ? C54 C55 C56 C47 0.3(7) . . . . ? C48 C47 C56 C55 1.0(7) . . . . ? C46 C47 C56 C55 173.5(5) . . . . ? C6 C7 N1 Dy1 -167.5(3) . . . . ? C8 C7 N1 Dy1 -49.9(4) . . . . ? O6 Dy1 N1 C7 -30.4(4) . . . . ? O3 Dy1 N1 C7 -150.2(3) . . . . ? O4 Dy1 N1 C7 -177.2(3) . . . . ? O5 Dy1 N1 C7 -63.8(3) . . . . ? O1 Dy1 N1 C7 121.5(3) . . . . ? O2 Dy1 N1 C7 73.5(3) . . . . ? N2 Dy1 N1 C7 19.5(3) . . . . ? C7 C8 N2 Dy1 -56.0(5) . . . . ? C9 C8 N2 Dy1 -167.3(3) . . . . ? O6 Dy1 N2 C8 165.4(3) . . . . ? O3 Dy1 N2 C8 32.0(4) . . . . ? O4 Dy1 N2 C8 -139.5(3) . . . . ? O5 Dy1 N2 C8 93.7(3) . . . . ? O1 Dy1 N2 C8 -49.3(3) . . . . ? O2 Dy1 N2 C8 -117.3(3) . . . . ? N1 Dy1 N2 C8 17.7(3) . . . . ? C17 C16 O1 Dy1 17.5(10) . . . . ? C15 C16 O1 Dy1 -162.5(3) . . . . ? O6 Dy1 O1 C16 -20.4(5) . . . . ? O3 Dy1 O1 C16 122.8(4) . . . . ? O4 Dy1 O1 C16 50.2(4) . . . . ? O5 Dy1 O1 C16 -174.1(4) . . . . ? O2 Dy1 O1 C16 -27.7(4) . . . . ? N1 Dy1 O1 C16 -165.8(5) . . . . ? N2 Dy1 O1 C16 -100.2(4) . . . . ? C17 C18 O2 Dy1 -47.0(7) . . . . ? C19 C18 O2 Dy1 139.8(4) . . . . ? O6 Dy1 O2 C18 -131.1(4) . . . . ? O3 Dy1 O2 C18 -3.7(5) . . . . ? O4 Dy1 O2 C18 -47.0(4) . . . . ? O5 Dy1 O2 C18 -166.3(4) . . . . ? O1 Dy1 O2 C18 44.6(4) . . . . ? N1 Dy1 O2 C18 92.7(4) . . . . ? N2 Dy1 O2 C18 144.0(4) . . . . ? C31 C30 O3 Dy1 -14.3(7) . . . . ? C29 C30 O3 Dy1 169.5(3) . . . . ? O6 Dy1 O3 C30 81.3(4) . . . . ? O4 Dy1 O3 C30 15.8(4) . . . . ? O5 Dy1 O3 C30 139.6(4) . . . . ? O1 Dy1 O3 C30 -74.0(4) . . . . ? O2 Dy1 O3 C30 -28.9(5) . . . . ? N1 Dy1 O3 C30 -145.6(4) . . . . ? N2 Dy1 O3 C30 -159.8(4) . . . . ? C31 C32 O4 Dy1 4.5(8) . . . . ? C33 C32 O4 Dy1 -169.3(3) . . . . ? O6 Dy1 O4 C32 -142.8(5) . . . . ? O3 Dy1 O4 C32 -11.8(5) . . . . ? O5 Dy1 O4 C32 -80.6(5) . . . . ? O1 Dy1 O4 C32 70.3(5) . . . . ? O2 Dy1 O4 C32 140.2(5) . . . . ? N1 Dy1 O4 C32 14.7(6) . . . . ? N2 Dy1 O4 C32 162.1(5) . . . . ? C45 C44 O5 Dy1 17.8(9) . . . . ? C43 C44 O5 Dy1 -168.7(3) . . . . ? O6 Dy1 O5 C44 -14.8(4) . . . . ? O3 Dy1 O5 C44 -147.1(4) . . . . ? O4 Dy1 O5 C44 -82.8(4) . . . . ? O1 Dy1 O5 C44 149.6(4) . . . . ? O2 Dy1 O5 C44 21.5(5) . . . . ? N1 Dy1 O5 C44 141.4(4) . . . . ? N2 Dy1 O5 C44 70.4(4) . . . . ? C45 C46 O6 Dy1 -15.8(8) . . . . ? C47 C46 O6 Dy1 168.0(3) . . . . ? O3 Dy1 O6 C46 79.9(6) . . . . ? O4 Dy1 O6 C46 141.3(6) . . . . ? O5 Dy1 O6 C46 16.9(5) . . . . ? O1 Dy1 O6 C46 -146.3(5) . . . . ? O2 Dy1 O6 C46 -139.2(6) . . . . ? N1 Dy1 O6 C46 -16.9(6) . . . . ? N2 Dy1 O6 C46 -62.9(5) . . . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 0.383 _refine_diff_density_min -1.149 _refine_diff_density_rms 0.079