#------------------------------------------------------------------------------
#$Date: 2020-03-12 00:18:16 +0200 (Thu, 12 Mar 2020) $
#$Revision: 249283 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/74/4517492.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4517492
loop_
_publ_author_name
'Zhang, Zhi-Hui'
'Lan, Jian-Hui'
'Yuan, Li-Yong'
'Sheng, Pan-Pan'
'He, Ming-Yang'
'Zheng, Li-Rong'
'Chen, Qun'
'Chai, Zhi-Fang'
'Gibson, John K.'
'Shi, Wei-Qun'
_publ_section_title
;
 Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI)
 Extraction: The Strong Periodic Tendency with a Metal Node.
;
_journal_name_full               'ACS applied materials & interfaces'
_journal_paper_doi               10.1021/acsami.0c02121
_journal_year                    2020
_chemical_formula_sum            'C52 H51 Dy3 N2 O32'
_chemical_formula_weight         1703.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                65.0250(10)
_cell_angle_beta                 68.6650(10)
_cell_angle_gamma                87.7430(10)
_cell_formula_units_Z            1
_cell_length_a                   11.5982(4)
_cell_length_b                   12.2091(4)
_cell_length_c                   13.5331(5)
_cell_measurement_reflns_used    9253
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      3.10
_cell_volume                     1603.22(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            56706
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.579
_diffrn_reflns_theta_min         3.007
_exptl_absorpt_coefficient_mu    3.550
_exptl_absorpt_correction_T_max  0.537
_exptl_absorpt_correction_T_min  0.471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.764
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             831
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.410
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         7393
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0249
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0425P)²+4.9357P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0768
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6378
_reflns_number_total             7393
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am0c02121_si_002.cif
_cod_data_source_block           Dy-MOF
_cod_database_code               4517492
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.471
_shelx_estimated_absorpt_t_max   0.537
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.0000 0.0000 1.0000 0.01045(6) Uani 1 2 d S . P . .
Dy2 Dy 0.92697(2) 0.83001(2) 0.82763(2) 0.01335(6) Uani 1 1 d . . . . .
O1 O 0.2108(3) 0.0470(3) 0.9289(3) 0.0298(7) Uani 1 1 d . . . . .
O2 O 0.2093(3) 0.1946(3) 0.9831(2) 0.0228(6) Uani 1 1 d . . . . .
O3 O 0.5807(3) -0.1292(3) 0.8068(3) 0.0307(7) Uani 1 1 d . . . . .
H3 H 0.6094 -0.1941 0.8211 0.046 Uiso 0.5 1 calc R U P . .
O4 O 0.7624(3) -0.0572(3) 0.7933(3) 0.0247(6) Uani 1 1 d . . . . .
O5 O 0.9355(3) 0.1542(2) 1.0561(2) 0.0187(5) Uani 1 1 d . . . . .
O6 O 0.9799(3) 0.3277(2) 1.0542(3) 0.0235(6) Uani 1 1 d . . . . .
O7 O 0.7667(3) 0.6776(2) 0.8984(3) 0.0267(7) Uani 1 1 d . . . . .
O8 O 0.6404(4) 0.6705(3) 0.8115(4) 0.0424(9) Uani 1 1 d . . . . .
O9 O 0.9688(3) 1.0283(2) 0.8128(3) 0.0253(6) Uani 1 1 d . . . . .
O10 O 1.0361(4) 1.1850(3) 0.8230(3) 0.0354(8) Uani 1 1 d . . . . .
O11 O 0.9973(3) 1.3005(3) 0.2752(3) 0.0322(8) Uani 1 1 d . . . . .
O12 O 1.0619(3) 1.1301(3) 0.3684(3) 0.0271(7) Uani 1 1 d . . . . .
O13 O 1.1405(3) 0.9028(4) 0.7003(3) 0.0451(9) Uani 1 1 d . . . . .
H13A H 1.1307 0.9175 0.6391 0.068 Uiso 1 1 d R U . . .
H13B H 1.2029 0.9334 0.6993 0.068 Uiso 1 1 d R U . . .
C1 C 0.2650(3) 0.1280(3) 0.9384(3) 0.0171(7) Uani 1 1 d . . . . .
C2 C 0.4048(3) 0.1383(3) 0.8949(3) 0.0153(7) Uani 1 1 d . . . . .
C3 C 0.4640(3) 0.0517(3) 0.8585(3) 0.0171(7) Uani 1 1 d . . . . .
H3A H 0.4182 -0.0036 0.8515 0.021 Uiso 1 1 calc R U . . .
C4 C 0.5903(4) 0.0488(3) 0.8330(3) 0.0162(7) Uani 1 1 d . . . . .
C5 C 0.6588(3) 0.1333(3) 0.8415(3) 0.0172(7) Uani 1 1 d . . . . .
H5 H 0.7443 0.1322 0.8222 0.021 Uiso 1 1 calc R U . . .
C6 C 0.6015(3) 0.2196(3) 0.8785(3) 0.0165(7) Uani 1 1 d . . . . .
C7 C 0.4741(3) 0.2217(3) 0.9042(3) 0.0161(7) Uani 1 1 d . . . . .
H7 H 0.4348 0.2794 0.9277 0.019 Uiso 1 1 calc R U . . .
C8 C 0.6522(4) -0.0516(3) 0.8076(3) 0.0173(7) Uani 1 1 d . . . . .
C9 C 0.6754(3) 0.2994(3) 0.8981(4) 0.0172(7) Uani 1 1 d . . . . .
C10 C 0.7623(4) 0.2507(3) 0.9492(4) 0.0184(8) Uani 1 1 d . . . . .
H10 H 0.7724 0.1690 0.9701 0.022 Uiso 1 1 calc R U . . .
C11 C 0.8339(3) 0.3217(3) 0.9693(3) 0.0173(7) Uani 1 1 d . . . . .
C12 C 0.8180(4) 0.4429(3) 0.9400(4) 0.0210(8) Uani 1 1 d . . . . .
H12 H 0.8666 0.4912 0.9520 0.025 Uiso 1 1 calc R U . . .
C13 C 0.7294(4) 0.4926(3) 0.8924(4) 0.0203(8) Uani 1 1 d . . . . .
C14 C 0.6586(4) 0.4214(3) 0.8714(4) 0.0209(8) Uani 1 1 d . . . . .
H14 H 0.5999 0.4552 0.8393 0.025 Uiso 1 1 calc R U . . .
C15 C 0.9227(3) 0.2657(3) 1.0283(3) 0.0155(7) Uani 1 1 d . . . . .
C16 C 0.7116(4) 0.6230(4) 0.8651(4) 0.0231(8) Uani 1 1 d . . . . .
C17 C 1.0039(4) 1.1410(3) 0.7673(3) 0.0161(7) Uani 1 1 d . . . . .
C18 C 1.0037(4) 1.2253(3) 0.6485(3) 0.0174(7) Uani 1 1 d . . . . .
C19 C 1.0079(4) 1.1845(3) 0.5657(3) 0.0196(8) Uani 1 1 d . . . . .
H19 H 1.0082 1.1022 0.5835 0.024 Uiso 1 1 calc R U . . .
C20 C 1.0117(4) 1.2685(4) 0.4564(4) 0.0218(8) Uani 1 1 d . . . . .
C21 C 1.0085(5) 1.3913(4) 0.4310(4) 0.0264(9) Uani 1 1 d . . . . .
H21 H 1.0108 1.4464 0.3572 0.032 Uiso 1 1 calc R U . . .
C22 C 1.0019(4) 1.4339(3) 0.5141(3) 0.0222(8) Uani 1 1 d . . . . .
C23 C 1.0014(4) 1.3489(3) 0.6216(3) 0.0224(8) Uani 1 1 d . . . . .
H23 H 0.9995 1.3748 0.6777 0.027 Uiso 1 1 calc R U . . .
C24 C 1.0239(4) 1.2300(4) 0.3617(3) 0.0230(8) Uani 1 1 d . . . . .
C25 C 0.1884(16) 0.4884(16) 0.7933(15) 0.185(7) Uiso 1 1 d D . . . .
H25A H 0.2114 0.4523 0.7392 0.277 Uiso 1 1 d R U . . .
H25B H 0.0990 0.4804 0.8290 0.277 Uiso 1 1 d R U . . .
H25C H 0.2210 0.4477 0.8535 0.277 Uiso 1 1 d R U . . .
N1 N 0.240(3) 0.6176(17) 0.729(2) 0.382(14) Uiso 1 1 d D . . . .
H2A H 0.1800 0.6642 0.7409 0.458 Uiso 1 1 calc R U . . .
H2B H 0.2772 0.6398 0.6519 0.458 Uiso 1 1 calc R U . . .
C26 C 0.330(4) 0.626(3) 0.780(5) 0.66(4) Uiso 1 1 d D . . . .
H26A H 0.3558 0.7103 0.7557 0.997 Uiso 1 1 d R U . . .
H26B H 0.4013 0.5892 0.7516 0.997 Uiso 1 1 d R U . . .
H26C H 0.2920 0.5844 0.8641 0.997 Uiso 1 1 d R U . . .
O14 O 0.2333(8) -0.0035(11) 0.4662(6) 0.184(5) Uani 1 1 d . . . . .
H14A H 0.1908 0.0322 0.4284 0.276 Uiso 1 1 d R U . . .
H14B H 0.2126 -0.0173 0.5355 0.276 Uiso 1 1 d R U . . .
O15 O 0.3384(11) 0.333(3) 0.505(2) 0.60(3) Uani 1 1 d . . . . .
H15A H 0.3476 0.4013 0.5009 0.898 Uiso 1 1 d R U . . .
H15B H 0.3221 0.3231 0.4549 0.898 Uiso 1 1 d R U . . .
O16 O 0.3024(13) 0.060(2) 0.6876(15) 0.167(9) Uani 0.5 1 d . . P . .
H16A H 0.2618 0.0191 0.7582 0.251 Uiso 0.5 1 d R U P . .
H16B H 0.2990 0.0395 0.6381 0.251 Uiso 0.5 1 d R U P . .
O17 O 0.324(4) 0.535(4) 0.484(4) 0.34(2) Uiso 0.5 1 d . . P . .
H17A H 0.3612 0.5312 0.4210 0.509 Uiso 0.5 1 d R U P . .
H17B H 0.3145 0.6002 0.4869 0.509 Uiso 0.5 1 d R U P . .
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Dy1 O1 180.0 2_557 . ?
O1 Dy1 O5 100.50(10) 2_557 2_657 ?
O1 Dy1 O5 79.51(10) . 2_657 ?
O1 Dy1 O5 79.50(10) 2_557 1_455 ?
O1 Dy1 O5 100.49(10) . 1_455 ?
O5 Dy1 O5 180.00(14) 2_657 1_455 ?
O1 Dy1 O10 78.63(13) 2_557 2_667 ?
O1 Dy1 O10 101.37(13) . 2_667 ?
O5 Dy1 O10 72.54(10) 2_657 2_667 ?
O5 Dy1 O10 107.46(10) 1_455 2_667 ?
O1 Dy1 O10 101.37(13) 2_557 1_445 ?
O1 Dy1 O10 78.63(13) . 1_445 ?
O5 Dy1 O10 107.46(10) 2_657 1_445 ?
O5 Dy1 O10 72.54(10) 1_455 1_445 ?
O10 Dy1 O10 180.00(13) 2_667 1_445 ?
O1 Dy1 O9 79.10(11) 2_557 1_445 ?
O1 Dy1 O9 100.90(11) . 1_445 ?
O5 Dy1 O9 66.67(9) 2_657 1_445 ?
O5 Dy1 O9 113.33(9) 1_455 1_445 ?
O10 Dy1 O9 128.38(9) 2_667 1_445 ?
O10 Dy1 O9 51.62(9) 1_445 1_445 ?
O1 Dy1 O9 100.90(11) 2_557 2_667 ?
O1 Dy1 O9 79.10(11) . 2_667 ?
O5 Dy1 O9 113.33(9) 2_657 2_667 ?
O5 Dy1 O9 66.67(9) 1_455 2_667 ?
O10 Dy1 O9 51.62(9) 2_667 2_667 ?
O10 Dy1 O9 128.38(9) 1_445 2_667 ?
O9 Dy1 O9 180.0 1_445 2_667 ?
O1 Dy1 C17 89.84(12) 2_557 2_667 ?
O1 Dy1 C17 90.16(12) . 2_667 ?
O5 Dy1 C17 92.69(10) 2_657 2_667 ?
O5 Dy1 C17 87.31(10) 1_455 2_667 ?
O10 Dy1 C17 25.54(10) 2_667 2_667 ?
O10 Dy1 C17 154.46(10) 1_445 2_667 ?
O9 Dy1 C17 153.92(9) 1_445 2_667 ?
O9 Dy1 C17 26.08(9) 2_667 2_667 ?
O1 Dy1 C17 90.16(12) 2_557 1_445 ?
O1 Dy1 C17 89.84(12) . 1_445 ?
O5 Dy1 C17 87.31(10) 2_657 1_445 ?
O5 Dy1 C17 92.69(10) 1_455 1_445 ?
O10 Dy1 C17 154.46(10) 2_667 1_445 ?
O10 Dy1 C17 25.54(10) 1_445 1_445 ?
O9 Dy1 C17 26.08(9) 1_445 1_445 ?
O9 Dy1 C17 153.92(9) 2_667 1_445 ?
C17 Dy1 C17 180.0 2_667 1_445 ?
O7 Dy2 O2 72.14(11) . 2_667 ?
O7 Dy2 O4 77.87(10) . 1_565 ?
O2 Dy2 O4 75.73(10) 2_667 1_565 ?
O7 Dy2 O13 143.56(12) . . ?
O2 Dy2 O13 138.27(11) 2_667 . ?
O4 Dy2 O13 122.41(13) 1_565 . ?
O7 Dy2 O9 142.31(11) . . ?
O2 Dy2 O9 79.36(10) 2_667 . ?
O4 Dy2 O9 71.49(10) 1_565 . ?
O13 Dy2 O9 73.40(12) . . ?
O7 Dy2 O6 85.62(10) . 2_767 ?
O2 Dy2 O6 81.24(10) 2_667 2_767 ?
O4 Dy2 O6 154.84(11) 1_565 2_767 ?
O13 Dy2 O6 81.83(13) . 2_767 ?
O9 Dy2 O6 114.17(9) . 2_767 ?
O7 Dy2 O12 86.03(11) . 2_776 ?
O2 Dy2 O12 143.99(10) 2_667 2_776 ?
O4 Dy2 O12 71.82(10) 1_565 2_776 ?
O13 Dy2 O12 74.48(12) . 2_776 ?
O9 Dy2 O12 104.20(10) . 2_776 ?
O6 Dy2 O12 126.25(10) 2_767 2_776 ?
O7 Dy2 O11 72.14(11) . 2_776 ?
O2 Dy2 O11 137.52(11) 2_667 2_776 ?
O4 Dy2 O11 117.71(10) 1_565 2_776 ?
O13 Dy2 O11 71.53(12) . 2_776 ?
O9 Dy2 O11 142.35(11) . 2_776 ?
O6 Dy2 O11 73.84(9) 2_767 2_776 ?
O12 Dy2 O11 53.12(9) 2_776 2_776 ?
O7 Dy2 O5 125.89(10) . 2_767 ?
O2 Dy2 O5 71.47(9) 2_667 2_767 ?
O4 Dy2 O5 128.06(9) 1_565 2_767 ?
O13 Dy2 O5 68.33(11) . 2_767 ?
O9 Dy2 O5 63.77(9) . 2_767 ?
O6 Dy2 O5 50.40(8) 2_767 2_767 ?
O12 Dy2 O5 142.77(10) 2_776 2_767 ?
O11 Dy2 O5 113.75(10) 2_776 2_767 ?
O7 Dy2 C24 76.50(12) . 2_776 ?
O2 Dy2 C24 148.40(11) 2_667 2_776 ?
O4 Dy2 C24 94.13(11) 1_565 2_776 ?
O13 Dy2 C24 72.38(12) . 2_776 ?
O9 Dy2 C24 126.32(11) . 2_776 ?
O6 Dy2 C24 100.37(11) 2_767 2_776 ?
O12 Dy2 C24 26.52(10) 2_776 2_776 ?
O11 Dy2 C24 26.67(11) 2_776 2_776 ?
O5 Dy2 C24 133.28(11) 2_767 2_776 ?
O7 Dy2 C15 106.84(10) . 2_767 ?
O2 Dy2 C15 76.36(10) 2_667 2_767 ?
O4 Dy2 C15 148.55(10) 1_565 2_767 ?
O13 Dy2 C15 72.38(12) . 2_767 ?
O9 Dy2 C15 89.35(10) . 2_767 ?
O6 Dy2 C15 24.83(9) 2_767 2_767 ?
O12 Dy2 C15 138.64(10) 2_776 2_767 ?
O11 Dy2 C15 92.80(10) 2_776 2_767 ?
O5 Dy2 C15 25.64(9) 2_767 2_767 ?
C24 Dy2 C15 117.29(11) 2_776 2_767 ?
C1 O1 Dy1 124.1(3) . . ?
C1 O2 Dy2 136.8(3) . 2_667 ?
C8 O3 H3 109.5 . . ?
C8 O4 Dy2 151.1(3) . 1_545 ?
C15 O5 Dy1 149.7(3) . 1_655 ?
C15 O5 Dy2 88.5(2) . 2_767 ?
Dy1 O5 Dy2 106.90(10) 1_655 2_767 ?
C15 O6 Dy2 100.4(2) . 2_767 ?
C16 O7 Dy2 141.9(3) . . ?
C17 O9 Dy2 159.8(3) . . ?
C17 O9 Dy1 90.3(2) . 1_665 ?
Dy2 O9 Dy1 107.99(10) . 1_665 ?
C17 O10 Dy1 98.2(2) . 1_665 ?
C24 O11 Dy2 91.8(2) . 2_776 ?
C24 O12 Dy2 93.5(2) . 2_776 ?
Dy2 O13 H13A 95.9 . . ?
Dy2 O13 H13B 138.7 . . ?
H13A O13 H13B 121.3 . . ?
O2 C1 O1 123.9(4) . . ?
O2 C1 C2 119.9(3) . . ?
O1 C1 C2 116.2(3) . . ?
C7 C2 C3 119.8(3) . . ?
C7 C2 C1 121.2(3) . . ?
C3 C2 C1 118.4(3) . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 119.8(3) . . ?
C3 C4 C8 120.6(3) . . ?
C5 C4 C8 119.3(3) . . ?
C4 C5 C6 121.2(3) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 118.5(3) . . ?
C7 C6 C9 121.9(3) . . ?
C5 C6 C9 119.4(3) . . ?
C6 C7 C2 120.7(3) . . ?
C6 C7 H7 119.6 . . ?
C2 C7 H7 119.6 . . ?
O4 C8 O3 125.1(3) . . ?
O4 C8 C4 119.6(3) . . ?
O3 C8 C4 115.3(3) . . ?
C14 C9 C10 118.2(3) . . ?
C14 C9 C6 122.5(3) . . ?
C10 C9 C6 119.3(3) . . ?
C11 C10 C9 121.5(3) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C12 C11 C10 119.6(3) . . ?
C12 C11 C15 120.1(3) . . ?
C10 C11 C15 120.2(3) . . ?
C11 C12 C13 120.1(3) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C14 120.2(3) . . ?
C12 C13 C16 118.8(3) . . ?
C14 C13 C16 121.0(3) . . ?
C13 C14 C9 120.5(3) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
O6 C15 O5 120.4(3) . . ?
O6 C15 C11 119.9(3) . . ?
O5 C15 C11 119.6(3) . . ?
O6 C15 Dy2 54.76(18) . 2_767 ?
O5 C15 Dy2 65.89(19) . 2_767 ?
C11 C15 Dy2 170.7(3) . 2_767 ?
O7 C16 O8 123.7(4) . . ?
O7 C16 C13 118.0(3) . . ?
O8 C16 C13 118.2(3) . . ?
O10 C17 O9 119.8(3) . . ?
O10 C17 C18 118.8(3) . . ?
O9 C17 C18 121.3(3) . . ?
O10 C17 Dy1 56.24(19) . 1_665 ?
O9 C17 Dy1 63.6(2) . 1_665 ?
C18 C17 Dy1 174.4(2) . 1_665 ?
C19 C18 C23 120.1(3) . . ?
C19 C18 C17 122.3(3) . . ?
C23 C18 C17 117.5(3) . . ?
C20 C19 C18 118.9(3) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C19 C20 C21 120.4(4) . . ?
C19 C20 C24 120.9(3) . . ?
C21 C20 C24 118.7(4) . . ?
C20 C21 C22 121.5(4) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 H21 119.2 . . ?
C23 C22 C21 117.1(3) . . ?
C23 C22 C22 121.9(4) . 2_786 ?
C21 C22 C22 121.0(4) . 2_786 ?
C22 C23 C18 121.9(3) . . ?
C22 C23 H23 119.1 . . ?
C18 C23 H23 119.1 . . ?
O12 C24 O11 121.2(3) . . ?
O12 C24 C20 120.1(4) . . ?
O11 C24 C20 118.7(3) . . ?
O12 C24 Dy2 59.9(2) . 2_776 ?
O11 C24 Dy2 61.5(2) . 2_776 ?
C20 C24 Dy2 174.0(3) . 2_776 ?
N1 C25 H25A 109.2 . . ?
N1 C25 H25B 109.4 . . ?
H25A C25 H25B 109.5 . . ?
N1 C25 H25C 109.8 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C25 N1 C26 103.2(9) . . ?
C25 N1 H2A 111.1 . . ?
C26 N1 H2A 111.1 . . ?
C25 N1 H2B 111.1 . . ?
C26 N1 H2B 111.1 . . ?
H2A N1 H2B 109.1 . . ?
N1 C26 H26A 109.8 . . ?
N1 C26 H26B 109.0 . . ?
H26A C26 H26B 109.5 . . ?
N1 C26 H26C 109.6 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
H14A O14 H14B 121.3 . . ?
H15A O15 H15B 121.4 . . ?
H16A O16 H16B 121.3 . . ?
H17A O17 H17B 121.4 . . ?
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
Dy1 O1 2.273(3) 2_557 ?
Dy1 O1 2.273(3) . ?
Dy1 O5 2.316(3) 2_657 ?
Dy1 O5 2.316(3) 1_455 ?
Dy1 O10 2.406(3) 2_667 ?
Dy1 O10 2.406(3) 1_445 ?
Dy1 O9 2.566(3) 1_445 ?
Dy1 O9 2.566(3) 2_667 ?
Dy1 C17 2.864(4) 2_667 ?
Dy1 C17 2.864(4) 1_445 ?
Dy2 O7 2.304(3) . ?
Dy2 O2 2.365(3) 2_667 ?
Dy2 O4 2.378(3) 1_565 ?
Dy2 O13 2.380(3) . ?
Dy2 O9 2.397(3) . ?
Dy2 O6 2.434(3) 2_767 ?
Dy2 O12 2.440(3) 2_776 ?
Dy2 O11 2.474(3) 2_776 ?
Dy2 O5 2.677(3) 2_767 ?
Dy2 C24 2.814(4) 2_776 ?
Dy2 C15 2.932(4) 2_767 ?
O1 C1 1.266(5) . ?
O2 C1 1.239(5) . ?
O2 Dy2 2.365(3) 2_667 ?
O3 C8 1.290(5) . ?
O3 H3 0.8200 . ?
O4 C8 1.224(5) . ?
O4 Dy2 2.378(3) 1_545 ?
O5 C15 1.269(4) . ?
O5 Dy1 2.316(3) 1_655 ?
O5 Dy2 2.677(3) 2_767 ?
O6 C15 1.252(4) . ?
O6 Dy2 2.434(3) 2_767 ?
O7 C16 1.246(5) . ?
O8 C16 1.260(5) . ?
O9 C17 1.259(5) . ?
O9 Dy1 2.566(3) 1_665 ?
O10 C17 1.248(5) . ?
O10 Dy1 2.406(3) 1_665 ?
O11 C24 1.264(5) . ?
O11 Dy2 2.474(3) 2_776 ?
O12 C24 1.259(5) . ?
O12 Dy2 2.440(3) 2_776 ?
O13 H13A 0.8200 . ?
O13 H13B 0.8203 . ?
C1 C2 1.500(5) . ?
C2 C7 1.394(5) . ?
C2 C3 1.404(5) . ?
C3 C4 1.381(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.393(5) . ?
C4 C8 1.497(5) . ?
C5 C6 1.397(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.391(5) . ?
C6 C9 1.484(5) . ?
C7 H7 0.9300 . ?
C9 C14 1.400(5) . ?
C9 C10 1.400(5) . ?
C10 C11 1.392(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.384(5) . ?
C11 C15 1.500(5) . ?
C12 C13 1.393(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.396(5) . ?
C13 C16 1.499(5) . ?
C14 H14 0.9300 . ?
C15 Dy2 2.931(4) 2_767 ?
C17 C18 1.500(5) . ?
C17 Dy1 2.864(4) 1_665 ?
C18 C19 1.390(5) . ?
C18 C23 1.397(5) . ?
C19 C20 1.385(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.391(5) . ?
C20 C24 1.501(5) . ?
C21 C22 1.404(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(5) . ?
C22 C22 1.496(7) 2_786 ?
C23 H23 0.9300 . ?
C24 Dy2 2.814(4) 2_776 ?
C25 N1 1.462(10) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N1 C26 1.473(10) . ?
N1 H2A 0.8900 . ?
N1 H2B 0.8900 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
O14 H14A 0.8201 . ?
O14 H14B 0.8200 . ?
O15 H15A 0.8201 . ?
O15 H15B 0.8200 . ?
O16 H16A 0.8200 . ?
O16 H16B 0.8203 . ?
O17 H17A 0.8200 . ?
O17 H17B 0.8200 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O16 H16B O13 0.82 2.19 2.647(14) 115.2 1_445
O16 H16A O1 0.82 2.34 2.978(14) 135.7 .
O15 H15A O17 0.82 1.57 2.36(4) 160.4 .
O14 H14B O13 0.82 1.87 2.658(8) 160.7 1_445
O14 H14A O12 0.82 2.06 2.863(9) 166.1 1_445
N1 H2A O11 0.89 2.15 2.90(3) 140.7 2_676
C25 H25B O6 0.96 2.65 3.236(18) 120.0 1_455
O13 H13B O16 0.82 1.88 2.647(14) 154.5 1_665
O13 H13A O14 0.82 2.00 2.658(8) 137.4 1_665
O13 H13A O12 0.82 2.38 2.918(5) 124.1 2_776
O3 H3 O8 0.82 1.73 2.497(4) 155.6 1_545
O3 H3 O7 0.82 2.58 3.291(4) 145.8 1_545
O3 H3 O7 0.82 2.58 3.291(4) 145.8 1_545
O3 H3 O8 0.82 1.73 2.497(4) 155.6 1_545
O13 H13A O12 0.82 2.38 2.918(5) 124.1 2_776
O13 H13A O14 0.82 2.00 2.658(8) 137.4 1_665
O13 H13B O16 0.82 1.88 2.647(14) 154.5 1_665
C25 H25B O6 0.96 2.65 3.236(18) 120.0 1_455
N1 H2A O11 0.89 2.15 2.90(3) 140.7 2_676
O14 H14A O12 0.82 2.06 2.863(9) 166.1 1_445
O14 H14B O13 0.82 1.87 2.658(8) 160.7 1_445
O15 H15A O17 0.82 1.57 2.36(4) 160.4 .
O16 H16A O1 0.82 2.34 2.978(14) 135.7 .
O16 H16B O13 0.82 2.19 2.647(14) 115.2 1_445
O3 H3 O7 0.82 2.58 3.291(4) 145.8 1_545
O3 H3 O8 0.82 1.73 2.497(4) 155.6 1_545
O13 H13A O12 0.82 2.38 2.918(5) 124.1 2_776
O13 H13A O14 0.82 2.00 2.658(8) 137.4 1_665
O13 H13B O16 0.82 1.88 2.647(14) 154.5 1_665
C25 H25B O6 0.96 2.65 3.236(18) 120.0 1_455
N1 H2A O11 0.89 2.15 2.90(3) 140.7 2_676
O14 H14A O12 0.82 2.06 2.863(9) 166.1 1_445
O14 H14B O13 0.82 1.87 2.658(8) 160.7 1_445
O15 H15A O17 0.82 1.57 2.36(4) 160.4 .
O16 H16A O1 0.82 2.34 2.978(14) 135.7 .
O16 H16B O13 0.82 2.19 2.647(14) 115.2 1_445
