#------------------------------------------------------------------------------
#$Date: 2018-12-19 04:34:32 +0200 (Wed, 19 Dec 2018) $
#$Revision: 212651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/20/7232026.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_7232026
loop_
_publ_author_name
'Wang, Wenbo'
'Wang, Ruiying'
'Ge, Yafang'
'Wu, Benlai'
_publ_section_title
;
 Color tuning and white light emission by codoping in isostructural
 homochiral lanthanide metal--organic frameworks
;
_journal_issue                   73
_journal_name_full               'RSC Advances'
_journal_page_first              42100
_journal_paper_doi               10.1039/C8RA06793G
_journal_volume                  8
_journal_year                    2018
_chemical_absolute_configuration r
_chemical_formula_moiety         'C24 H30 Dy2 N2 O16, 2(Cl), 5(H2 O)'
_chemical_formula_sum            'C24 H40 Cl2 Dy2 N2 O21'
_chemical_formula_weight         1088.48
_chemical_name_common            'C24 H40 Cl2 Dy2 N2 O21'
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-07-01 deposited with the CCDC.
2018-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                105.039(5)
_cell_angle_beta                 93.823(4)
_cell_angle_gamma                110.052(4)
_cell_formula_units_Z            1
_cell_length_a                   9.6947(4)
_cell_length_b                   10.0533(5)
_cell_length_c                   11.0032(7)
_cell_measurement_reflns_used    7731
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.9020
_cell_measurement_theta_min      3.8620
_cell_volume                     958.48(10)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0454
_diffrn_reflns_av_unetI/netI     0.0854
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15523
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         3.370
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.088
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_description       block
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.159
_refine_diff_density_min         -0.985
_refine_diff_density_rms         0.156
_refine_ls_abs_structure_details
;
 Flack x determined using 2752 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.22(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         7775
_refine_ls_number_restraints     155
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0206P)²+2.6248P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0922
_reflns_Friedel_coverage         0.992
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                6702
_reflns_number_total             7775
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra06793g2.cif
_cod_data_source_block           IV
_cod_original_cell_volume        958.48(9)
_cod_database_code               7232026
_shelx_shelxl_version_number     2017/1
_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.
;
loop_
_space_group_symop_operation_xyz
'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
Dy1 Dy 0.1684(2) 0.4273(2) 0.03850(18) 0.0209(3) Uani 1 1 d . .
Dy2 Dy -0.1679(2) 0.5733(2) -0.03820(18) 0.0206(3) Uani 1 1 d . .
Cl1 Cl 0.5168(14) -0.2248(12) -0.5633(11) 0.056(3) Uani 1 1 d . .
Cl2 Cl 0.4704(14) 0.2220(13) -0.4317(11) 0.062(3) Uani 1 1 d . .
O1 O 0.319(2) 0.313(2) -0.087(2) 0.028(5) Uani 1 1 d . .
O2 O 0.1312(14) 0.1659(14) -0.0210(12) 0.025(3) Uani 1 1 d . U
O3 O 0.0719(18) -0.3623(18) -0.0709(15) 0.022(4) Uani 1 1 d . U
O4 O 0.286(2) -0.402(2) -0.075(2) 0.033(6) Uani 1 1 d . .
O5 O 1.030(2) 0.312(2) -0.176(2) 0.031(5) Uani 1 1 d . .
O6 O 0.814(2) 0.349(2) -0.1979(19) 0.033(5) Uani 1 1 d . U
O7 O 0.415(2) 0.534(2) 0.1565(17) 0.026(5) Uani 1 1 d D U
O8 O 0.162(2) 0.369(2) 0.2419(18) 0.049(7) Uani 1 1 d D .
O9 O -0.284(2) 0.402(2) 0.0674(19) 0.024(5) Uani 1 1 d . U
O10 O -0.080(2) 0.360(2) 0.0533(16) 0.031(5) Uani 1 1 d . U
O11 O -0.1599(14) -0.1800(14) -0.0104(12) 0.026(3) Uani 1 1 d . U
O12 O -0.318(2) -0.307(2) 0.0908(19) 0.025(5) Uani 1 1 d . U
O13 O -0.810(2) -0.342(2) 0.1879(16) 0.018(4) Uani 1 1 d . U
O14 O -1.031(2) -0.319(2) 0.171(2) 0.028(5) Uani 1 1 d . .
O15 O -0.4209(19) 0.468(2) -0.1496(18) 0.038(6) Uani 1 1 d D .
O16 O -0.173(2) 0.623(2) -0.2367(18) 0.048(7) Uani 1 1 d D .
O17 O 0.980(5) 0.670(5) 0.562(4) 0.32(2) Uani 1 1 d . U
O18 O 0.258(3) 0.404(4) 0.648(3) 0.088(8) Uani 1 1 d . .
O19 O 0.4341(13) 0.3755(13) 0.3616(11) 0.048(3) Uani 1 1 d . .
O20 O 0.191(2) 0.546(2) 0.4939(16) 0.113(6) Uani 1 1 d . .
O21 O 0.765(4) 0.629(5) 0.370(4) 0.152(16) Uani 1 1 d . .
N1 N 0.672(3) 0.063(3) -0.333(3) 0.025(6) Uani 1 1 d . .
H1A H 0.626480 -0.012646 -0.406818 0.030 Uiso 1 1 calc R U
H1B H 0.624226 0.127553 -0.325913 0.030 Uiso 1 1 calc R U
N2 N -0.670(3) -0.055(3) 0.328(2) 0.020(5) Uani 1 1 d . U
H2A H -0.626243 0.021850 0.400269 0.024 Uiso 1 1 calc R U
H2B H -0.625178 -0.121946 0.325107 0.024 Uiso 1 1 calc R U
C1 C 0.246(3) 0.187(3) -0.069(3) 0.030(8) Uani 1 1 d D .
C2 C 0.306(3) 0.061(3) -0.114(3) 0.022(7) Uani 1 1 d D .
C3 C 0.225(3) -0.074(3) -0.092(3) 0.027(7) Uani 1 1 d . U
H3 H 0.134013 -0.088058 -0.060057 0.033 Uiso 1 1 calc R U
C4 C 0.282(3) -0.190(3) -0.118(3) 0.020(6) Uani 1 1 d . .
C5 C 0.208(3) -0.331(3) -0.078(3) 0.026(6) Uani 1 1 d . U
C6 C 0.416(3) -0.160(3) -0.164(3) 0.025(7) Uani 1 1 d . .
H6 H 0.453409 -0.237213 -0.184713 0.031 Uiso 1 1 calc R U
C7 C 0.496(3) -0.031(3) -0.182(3) 0.017(6) Uani 1 1 d . U
H7A H 0.449(14) 0.601(8) 0.230(4) 0.025 Uiso 1 1 d D U
H8A H 0.129(4) 0.418(5) 0.302(4) 0.025 Uiso 1 1 d D U
H15A H -0.413(5) 0.423(9) -0.225(3) 0.025 Uiso 1 1 d D U
H16B H -0.129(9) 0.681(4) -0.280(4) 0.025 Uiso 1 1 d D U
H16A H -0.220(9) 0.545(4) -0.299(4) 0.025 Uiso 1 1 d D U
H8B H 0.236(4) 0.367(5) 0.288(5) 0.025 Uiso 1 1 d D U
H7B H 0.474(8) 0.585(8) 0.115(5) 0.025 Uiso 1 1 d D U
H15B H -0.515(3) 0.421(10) -0.154(5) 0.025 Uiso 1 1 d D U
C8 C 0.434(3) 0.084(3) -0.160(3) 0.028(7) Uani 1 1 d . U
H8 H 0.484386 0.174156 -0.177376 0.033 Uiso 1 1 calc R U
C9 C 0.651(3) -0.001(4) -0.222(3) 0.031(8) Uani 1 1 d . .
H9A H 0.728126 0.069509 -0.148144 0.038 Uiso 1 1 calc R U
H9B H 0.668745 -0.094653 -0.245357 0.038 Uiso 1 1 calc R U
C10 C 0.829(3) 0.141(3) -0.345(3) 0.025(6) Uani 1 1 d . .
H10 H 0.883381 0.073077 -0.342724 0.030 Uiso 1 1 calc R U
C11 C 0.895(3) 0.278(3) -0.224(3) 0.026(7) Uani 1 1 d . U
C12 C 0.8382(19) 0.174(2) -0.4683(16) 0.053(5) Uani 1 1 d . .
H12A H 0.813872 0.262395 -0.463051 0.079 Uiso 1 1 calc R U
H12B H 0.767533 0.089663 -0.536814 0.079 Uiso 1 1 calc R U
H12C H 0.939595 0.193459 -0.486559 0.079 Uiso 1 1 calc R U
C13 C -0.207(3) 0.326(3) 0.090(2) 0.014(5) Uani 1 1 d . U
C14 C -0.278(3) 0.187(2) 0.125(3) 0.025(7) Uani 1 1 d D .
C15 C -0.220(2) 0.081(2) 0.102(2) 0.015(5) Uani 1 1 d D U
H15 H -0.122509 0.102094 0.080615 0.018 Uiso 1 1 calc R U
C16 C -0.301(3) -0.061(3) 0.109(3) 0.020(6) Uani 1 1 d . U
C17 C -0.256(3) -0.189(3) 0.065(3) 0.020(6) Uani 1 1 d . U
C18 C -0.445(3) -0.085(3) 0.150(2) 0.014(5) Uani 1 1 d . U
H18 H -0.504181 -0.181481 0.151167 0.017 Uiso 1 1 calc R U
C19 C -0.498(3) 0.025(3) 0.186(3) 0.022(7) Uani 1 1 d . .
C20 C -0.418(3) 0.168(3) 0.165(3) 0.020(6) Uani 1 1 d . U
H20 H -0.457311 0.243791 0.177832 0.024 Uiso 1 1 calc R U
C21 C -0.647(3) 0.000(3) 0.215(3) 0.023(6) Uani 1 1 d . U
H21A H -0.720744 -0.073291 0.139825 0.027 Uiso 1 1 calc R U
H21B H -0.664333 0.094044 0.231500 0.027 Uiso 1 1 calc R U
C22 C -0.835(3) -0.129(3) 0.332(2) 0.027(7) Uani 1 1 d D .
H22 H -0.837316 -0.155770 0.414091 0.032 Uiso 1 1 calc R U
C23 C -0.900(3) -0.280(2) 0.225(3) 0.025(7) Uani 1 1 d D .
C24 C -0.9189(19) -0.0283(19) 0.342(2) 0.056(6) Uani 1 1 d . .
H24A H -0.867337 0.062401 0.413088 0.084 Uiso 1 1 calc R U
H24B H -1.019706 -0.078468 0.356341 0.084 Uiso 1 1 calc R U
H24C H -0.924773 -0.002566 0.262094 0.084 Uiso 1 1 calc R U
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O10 Dy1 O7 144.9(6) . .
O10 Dy1 O4 122.1(7) . 1_565
O7 Dy1 O4 79.9(7) . 1_565
O10 Dy1 O13 83.6(6) . 1_665
O7 Dy1 O13 73.4(6) . 1_665
O4 Dy1 O13 79.5(7) 1_565 1_665
O10 Dy1 O5 72.8(7) . 1_455
O7 Dy1 O5 142.3(7) . 1_455
O4 Dy1 O5 75.8(8) 1_565 1_455
O13 Dy1 O5 128.5(7) 1_665 1_455
O10 Dy1 O2 88.1(5) . .
O7 Dy1 O2 100.5(5) . .
O4 Dy1 O2 125.8(6) 1_565 .
O13 Dy1 O2 153.2(5) 1_665 .
O5 Dy1 O2 72.2(6) 1_455 .
O10 Dy1 O1 135.6(7) . .
O7 Dy1 O1 72.6(7) . .
O4 Dy1 O1 75.5(7) 1_565 .
O13 Dy1 O1 140.6(6) 1_665 .
O5 Dy1 O1 73.5(7) 1_455 .
O2 Dy1 O1 54.2(5) . .
O10 Dy1 O8 77.9(7) . .
O7 Dy1 O8 71.5(7) . .
O4 Dy1 O8 147.3(7) 1_565 .
O13 Dy1 O8 77.4(6) 1_665 .
O5 Dy1 O8 136.8(7) 1_455 .
O2 Dy1 O8 76.0(6) . .
O1 Dy1 O8 109.6(7) . .
O10 Dy1 C5 100.4(7) . 1_565
O7 Dy1 C5 94.5(7) . 1_565
O4 Dy1 C5 23.1(8) 1_565 1_565
O13 Dy1 C5 66.6(7) 1_665 1_565
O5 Dy1 C5 73.4(8) 1_455 1_565
O2 Dy1 C5 140.1(6) . 1_565
O1 Dy1 C5 96.9(7) . 1_565
O8 Dy1 C5 143.8(7) . 1_565
O3 Dy2 O9 125.7(7) 1_565 .
O3 Dy2 O14 77.2(7) 1_565 1_665
O9 Dy2 O14 76.5(7) . 1_665
O3 Dy2 O16 75.3(7) 1_565 .
O9 Dy2 O16 143.9(7) . .
O14 Dy2 O16 139.6(7) 1_665 .
O3 Dy2 O11 92.0(5) 1_565 1_565
O9 Dy2 O11 129.9(6) . 1_565
O14 Dy2 O11 82.5(6) 1_665 1_565
O16 Dy2 O11 69.5(6) . 1_565
O3 Dy2 O15 142.3(6) 1_565 .
O9 Dy2 O15 77.9(7) . .
O14 Dy2 O15 140.4(7) 1_665 .
O16 Dy2 O15 70.8(7) . .
O11 Dy2 O15 91.4(6) 1_565 .
O3 Dy2 O6 80.1(7) 1_565 1_455
O9 Dy2 O6 81.5(7) . 1_455
O14 Dy2 O6 129.5(7) 1_665 1_455
O16 Dy2 O6 73.5(7) . 1_455
O11 Dy2 O6 142.9(5) 1_565 1_455
O15 Dy2 O6 74.9(7) . 1_455
O3 Dy2 O12 137.2(6) 1_565 1_565
O9 Dy2 O12 76.8(7) . 1_565
O14 Dy2 O12 73.9(7) 1_665 1_565
O16 Dy2 O12 108.6(7) . 1_565
O11 Dy2 O12 53.7(6) 1_565 1_565
O15 Dy2 O12 71.2(7) . 1_565
O6 Dy2 O12 142.7(7) 1_455 1_565
O3 Dy2 C17 115.4(7) 1_565 1_565
O9 Dy2 C17 102.9(8) . 1_565
O14 Dy2 C17 76.0(8) 1_665 1_565
O16 Dy2 C17 89.7(8) . 1_565
O11 Dy2 C17 27.2(6) 1_565 1_565
O15 Dy2 C17 80.9(7) . 1_565
O6 Dy2 C17 153.9(7) 1_455 1_565
O12 Dy2 C17 26.5(7) 1_565 1_565
C1 O1 Dy1 90.4(14) . .
C1 O2 Dy1 92.6(12) . .
C5 O3 Dy2 173.6(17) . 1_545
C5 O4 Dy1 105.4(19) . 1_545
C11 O5 Dy1 133(2) . 1_655
C11 O6 Dy2 135.6(18) . 1_655
Dy1 O7 H7A 128(9) . .
Dy1 O7 H7B 109(5) . .
H7A O7 H7B 96(8) . .
Dy1 O8 H8A 119(5) . .
Dy1 O8 H8B 126(4) . .
H8A O8 H8B 98.2(2) . .
C13 O9 Dy2 113.3(17) . .
C13 O10 Dy1 166.0(16) . .
C17 O11 Dy2 94.6(12) . 1_545
C17 O12 Dy2 91.4(15) . 1_545
C23 O13 Dy1 135.4(15) . 1_445
C23 O14 Dy2 137(2) . 1_445
Dy2 O15 H15A 103(3) . .
Dy2 O15 H15B 151(5) . .
H15A O15 H15B 98.2(2) . .
Dy2 O16 H16B 146(4) . .
Dy2 O16 H16A 112(4) . .
H16B O16 H16A 98.2(2) . .
C10 N1 C9 116(2) . .
C10 N1 H1A 108.3 . .
C9 N1 H1A 108.3 . .
C10 N1 H1B 108.3 . .
C9 N1 H1B 108.3 . .
H1A N1 H1B 107.4 . .
C21 N2 C22 112(2) . .
C21 N2 H2A 109.2 . .
C22 N2 H2A 109.2 . .
C21 N2 H2B 109.2 . .
C22 N2 H2B 109.2 . .
H2A N2 H2B 107.9 . .
O2 C1 O1 121.7(19) . .
O2 C1 C2 121(2) . .
O1 C1 C2 117(2) . .
C8 C2 C3 122(2) . .
C8 C2 C1 122(3) . .
C3 C2 C1 115(2) . .
C2 C3 C4 119(2) . .
C2 C3 H3 120.7 . .
C4 C3 H3 120.7 . .
C6 C4 C3 117(3) . .
C6 C4 C5 123(2) . .
C3 C4 C5 120(2) . .
O4 C5 O3 131(3) . .
O4 C5 C4 114(2) . .
O3 C5 C4 115(2) . .
O4 C5 Dy1 51.4(15) . 1_545
O3 C5 Dy1 82.2(15) . 1_545
C4 C5 Dy1 160.9(18) . 1_545
C7 C6 C4 125(3) . .
C7 C6 H6 117.3 . .
C4 C6 H6 117.3 . .
C6 C7 C8 118(3) . .
C6 C7 C9 123(3) . .
C8 C7 C9 120(3) . .
C2 C8 C7 119(3) . .
C2 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
N1 C9 C7 115(2) . .
N1 C9 H9A 108.5 . .
C7 C9 H9A 108.5 . .
N1 C9 H9B 108.5 . .
C7 C9 H9B 108.5 . .
H9A C9 H9B 107.5 . .
C12 C10 N1 112(2) . .
C12 C10 C11 115(2) . .
N1 C10 C11 106(2) . .
C12 C10 H10 107.9 . .
N1 C10 H10 107.9 . .
C11 C10 H10 107.9 . .
O6 C11 O5 129(2) . .
O6 C11 C10 114(2) . .
O5 C11 C10 116(3) . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O10 C13 O9 115(2) . .
O10 C13 C14 123(2) . .
O9 C13 C14 121(2) . .
C15 C14 C20 123(2) . .
C15 C14 C13 121(2) . .
C20 C14 C13 116(2) . .
C14 C15 C16 121(2) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C15 C16 C18 117(2) . .
C15 C16 C17 123(2) . .
C18 C16 C17 119(2) . .
O12 C17 O11 120(2) . .
O12 C17 C16 122(3) . .
O11 C17 C16 118(2) . .
O12 C17 Dy2 62.1(13) . 1_545
O11 C17 Dy2 58.2(10) . 1_545
C16 C17 Dy2 175(2) . 1_545
C19 C18 C16 123(2) . .
C19 C18 H18 118.6 . .
C16 C18 H18 118.6 . .
C18 C19 C21 123(3) . .
C18 C19 C20 118(3) . .
C21 C19 C20 117(3) . .
C14 C20 C19 117(3) . .
C14 C20 H20 121.6 . .
C19 C20 H20 121.6 . .
C19 C21 N2 112(2) . .
C19 C21 H21A 109.1 . .
N2 C21 H21A 109.1 . .
C19 C21 H21B 109.1 . .
N2 C21 H21B 109.1 . .
H21A C21 H21B 107.9 . .
C24 C22 N2 114(2) . .
C24 C22 C23 117(2) . .
N2 C22 C23 109(2) . .
C24 C22 H22 105.5 . .
N2 C22 H22 105.5 . .
C23 C22 H22 105.5 . .
O14 C23 O13 125(2) . .
O14 C23 C22 117(2) . .
O13 C23 C22 117(2) . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O10 2.298(18) .
Dy1 O7 2.381(18) .
Dy1 O4 2.40(2) 1_565
Dy1 O13 2.399(18) 1_665
Dy1 O5 2.41(2) 1_455
Dy1 O2 2.428(12) .
Dy1 O1 2.44(2) .
Dy1 O8 2.455(19) .
Dy1 C5 2.96(3) 1_565
Dy2 O3 2.270(17) 1_565
Dy2 O9 2.34(2) .
Dy2 O14 2.36(2) 1_665
Dy2 O16 2.37(2) .
Dy2 O11 2.392(12) 1_565
Dy2 O15 2.406(18) .
Dy2 O6 2.41(2) 1_455
Dy2 O12 2.48(2) 1_565
Dy2 C17 2.80(2) 1_565
O1 C1 1.30(3) .
O2 C1 1.24(3) .
O3 C5 1.26(3) .
O4 C5 1.21(3) .
O5 C11 1.27(4) .
O6 C11 1.24(4) .
O7 H7A 0.8600(16) .
O7 H7B 0.8600(15) .
O8 H8A 0.8600(15) .
O8 H8B 0.8600(15) .
O9 C13 1.29(3) .
O10 C13 1.28(3) .
O11 C17 1.29(3) .
O12 C17 1.25(3) .
O13 C23 1.27(3) .
O14 C23 1.25(4) .
O15 H15A 0.8600(16) .
O15 H15B 0.8600(15) .
O16 H16B 0.8600(15) .
O16 H16A 0.8600(15) .
N1 C10 1.48(4) .
N1 C9 1.51(4) .
N1 H1A 0.9100 .
N1 H1B 0.9100 .
N2 C21 1.49(4) .
N2 C22 1.52(4) .
N2 H2A 0.9100 .
N2 H2B 0.9100 .
C1 C2 1.5500(15) .
C2 C8 1.34(4) .
C2 C3 1.41(4) .
C3 C4 1.426(19) .
C3 H3 0.9500 .
C4 C6 1.39(4) .
C4 C5 1.55(4) .
C6 C7 1.33(4) .
C6 H6 0.9500 .
C7 C8 1.45(4) .
C7 C9 1.55(4) .
C8 H8 0.9500 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C12 1.48(3) .
C10 C11 1.56(2) .
C10 H10 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.49(3) .
C14 C15 1.3501(15) .
C14 C20 1.42(4) .
C15 C16 1.40(3) .
C15 H15 0.9500 .
C16 C18 1.45(3) .
C16 C17 1.469(19) .
C18 C19 1.35(4) .
C18 H18 0.9500 .
C19 C21 1.45(4) .
C19 C20 1.46(4) .
C20 H20 0.9500 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C24 1.50(3) .
C22 C23 1.5500(15) .
C22 H22 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
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_4
Dy1 O2 C1 O1 -11(3) . .
Dy1 O2 C1 C2 172(3) . .
Dy1 O1 C1 O2 10(3) . .
Dy1 O1 C1 C2 -172(2) . .
O2 C1 C2 C8 -176(3) . .
O1 C1 C2 C8 6(4) . .
O2 C1 C2 C3 -3(4) . .
O1 C1 C2 C3 180(2) . .
C8 C2 C3 C4 0(4) . .
C1 C2 C3 C4 -173(3) . .
C2 C3 C4 C6 0(4) . .
C2 C3 C4 C5 172(2) . .
Dy1 O4 C5 O3 -24(4) 1_545 .
Dy1 O4 C5 C4 165.9(18) 1_545 .
C6 C4 C5 O4 10(4) . .
C3 C4 C5 O4 -162(3) . .
C6 C4 C5 O3 -162(3) . .
C3 C4 C5 O3 26(4) . .
C6 C4 C5 Dy1 45(7) . 1_545
C3 C4 C5 Dy1 -126(5) . 1_545
C3 C4 C6 C7 2(4) . .
C5 C4 C6 C7 -169(3) . .
C4 C6 C7 C8 -5(5) . .
C4 C6 C7 C9 175(3) . .
C3 C2 C8 C7 -3(4) . .
C1 C2 C8 C7 170(3) . .
C6 C7 C8 C2 5(4) . .
C9 C7 C8 C2 -174(3) . .
C10 N1 C9 C7 160(2) . .
C6 C7 C9 N1 131(3) . .
C8 C7 C9 N1 -50(4) . .
C9 N1 C10 C12 170(2) . .
C9 N1 C10 C11 -64(3) . .
Dy2 O6 C11 O5 -7(5) 1_655 .
Dy2 O6 C11 C10 -177.0(17) 1_655 .
Dy1 O5 C11 O6 41(5) 1_655 .
Dy1 O5 C11 C10 -150(2) 1_655 .
C12 C10 C11 O6 78(3) . .
N1 C10 C11 O6 -46(3) . .
C12 C10 C11 O5 -93(3) . .
N1 C10 C11 O5 143(3) . .
Dy1 O10 C13 O9 126(6) . .
Dy1 O10 C13 C14 -69(8) . .
Dy2 O9 C13 O10 1(3) . .
Dy2 O9 C13 C14 -163.9(19) . .
O10 C13 C14 C15 -9(4) . .
O9 C13 C14 C15 155(3) . .
O10 C13 C14 C20 179(2) . .
O9 C13 C14 C20 -17(4) . .
C20 C14 C15 C16 4(4) . .
C13 C14 C15 C16 -167(2) . .
C14 C15 C16 C18 -4(4) . .
C14 C15 C16 C17 169(3) . .
Dy2 O12 C17 O11 3(2) 1_545 .
Dy2 O12 C17 C16 177(2) 1_545 .
Dy2 O11 C17 O12 -3(3) 1_545 .
Dy2 O11 C17 C16 -177(2) 1_545 .
C15 C16 C17 O12 169(2) . .
C18 C16 C17 O12 -18(4) . .
C15 C16 C17 O11 -17(4) . .
C18 C16 C17 O11 156(2) . .
C15 C16 C18 C19 -3(4) . .
C17 C16 C18 C19 -177(3) . .
C16 C18 C19 C21 174(3) . .
C16 C18 C19 C20 9(4) . .
C15 C14 C20 C19 2(4) . .
C13 C14 C20 C19 173(2) . .
C18 C19 C20 C14 -8(4) . .
C21 C19 C20 C14 -174(3) . .
C18 C19 C21 N2 64(4) . .
C20 C19 C21 N2 -131(3) . .
C22 N2 C21 C19 -161(2) . .
C21 N2 C22 C24 -61(3) . .
C21 N2 C22 C23 71(3) . .
Dy2 O14 C23 O13 -33(5) 1_445 .
Dy2 O14 C23 C22 138(2) 1_445 .
Dy1 O13 C23 O14 -13(5) 1_445 .
Dy1 O13 C23 C22 176.7(17) 1_445 .
C24 C22 C23 O14 -14(4) . .
N2 C22 C23 O14 -145(3) . .
C24 C22 C23 O13 157(2) . .
N2 C22 C23 O13 27(4) . .
