#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:08:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180467 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/36/7213628.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_7213628
loop_
_publ_author_name
'Ma, Ying-Zhao'
'Zhang, Li-Min'
'Peng, Guo'
'Zhao, Chong-Jian'
'Dong, Ruo-Ting'
'Yang, Cheng-Feng'
'Deng, Hong'
_publ_section_title
;
 A series of three-dimensional 3d--4f cyanide heterometallic coordination
 polymers: synthesis, crystal structure, photoluminescent and magnetic
 properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              667
_journal_paper_doi               10.1039/c3ce42025f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C42 H31 Cu5 Dy2 N10 O16'
_chemical_formula_sum            'C42 H31 Cu5 Dy2 N10 O16'
_chemical_formula_weight         1574.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.064(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.857(4)
_cell_length_b                   30.693(7)
_cell_length_c                   8.995(2)
_cell_measurement_reflns_used    8790
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      1.35
_cell_volume                     4782.2(19)
_computing_cell_refinement       'Apex2 (Bruker, 2005)'
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        'Apex2 (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL 6.12'
_computing_publication_material  'SHELXTL 6.12'
_computing_structure_refinement  'SHELXTL 6.12'
_computing_structure_solution    'SHELXTL 6.12 (Bruker, 2000-2003)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            25041
_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    5.347
_exptl_absorpt_correction_T_max  0.343
_exptl_absorpt_correction_T_min  0.288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 (Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelike
_exptl_crystal_F_000             3032
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.440
_refine_diff_density_min         -1.818
_refine_diff_density_rms         0.191
_refine_ls_extinction_coef       0.00076(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         8790
_refine_ls_number_restraints     936
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+15.2750P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                6951
_reflns_number_total             8790
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42025f.txt
_cod_data_source_block           V-B
_cod_original_cell_volume        4782.0(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7213628
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_group
Cu2 Cu 0.97373(8) 0.45186(4) 1.46372(16) 0.0385(5) Uani 0.645(2) 1 d P 1
Cu2B Cu 0.95735(15) 0.54263(8) 1.4742(3) 0.0443(9) Uani 0.355(2) 1 d P 2
C11 C 0.8041(6) 0.4375(3) 1.4265(13) 0.0340(13) Uani 0.645(2) 1 d PU 1
H11 H 0.8222 0.4096 1.4553 0.041 Uiso 0.645(2) 1 calc PR 1
C12 C 0.7275(6) 0.4449(3) 1.4097(13) 0.0340(14) Uani 0.645(2) 1 d PU 1
H12 H 0.6948 0.4222 1.4204 0.041 Uiso 0.645(2) 1 calc PR 1
C13 C 0.6979(9) 0.4874(3) 1.3759(17) 0.0310(14) Uani 0.645(2) 1 d PU 1
C14 C 0.7485(6) 0.5179(3) 1.3447(13) 0.0338(13) Uani 0.645(2) 1 d PU 1
H14 H 0.7312 0.5459 1.3147 0.041 Uiso 0.645(2) 1 calc PR 1
C15 C 0.8271(8) 0.5067(4) 1.3583(16) 0.0356(13) Uani 0.645(2) 1 d PU 1
H15 H 0.8600 0.5275 1.3338 0.043 Uiso 0.645(2) 1 calc PR 1
N6 N 0.8557(5) 0.4673(3) 1.4050(12) 0.036(2) Uani 0.645(2) 1 d P 1
C11B C 0.8235(13) 0.4778(7) 1.405(3) 0.0340(13) Uani 0.355(2) 1 d PU 2
H11B H 0.8590 0.4550 1.4213 0.041 Uiso 0.355(2) 1 calc PR 2
C12B C 0.7421(12) 0.4692(7) 1.406(2) 0.0340(14) Uani 0.355(2) 1 d PU 2
H12B H 0.7270 0.4426 1.4389 0.041 Uiso 0.355(2) 1 calc PR 2
C13B C 0.6926(16) 0.5002(6) 1.359(3) 0.0310(14) Uani 0.355(2) 1 d PU 2
C14B C 0.7142(11) 0.5396(6) 1.305(2) 0.0338(13) Uani 0.355(2) 1 d PU 2
H14B H 0.6775 0.5604 1.2615 0.041 Uiso 0.355(2) 1 calc PR 2
C15B C 0.7929(11) 0.5471(6) 1.319(2) 0.0356(13) Uani 0.355(2) 1 d PU 2
H15B H 0.8081 0.5731 1.2816 0.043 Uiso 0.355(2) 1 calc PR 2
N6B N 0.8462(11) 0.5183(6) 1.382(2) 0.036(2) Uani 0.355(2) 1 d P 2
C1 C 1.0111(4) 0.4980(2) 1.1992(9) 0.0410(17) Uani 1 1 d U .
C2 C 0.9918(5) 0.5950(2) 1.3932(9) 0.0457(17) Uani 1 1 d U .
C3 C 0.9673(4) 0.7315(2) 1.2230(8) 0.0347(16) Uani 1 1 d . .
C4 C 0.9669(4) 0.6323(2) 0.9639(8) 0.0317(14) Uani 1 1 d U .
C5 C 0.8156(4) 0.4875(2) 0.9418(9) 0.0504(16) Uani 1 1 d U .
H5 H 0.8470 0.4631 0.9642 0.061 Uiso 1 1 calc R .
C6 C 0.7390(4) 0.4815(2) 0.8707(9) 0.0481(17) Uani 1 1 d U .
H6 H 0.7199 0.4536 0.8454 0.058 Uiso 1 1 calc R .
C7 C 0.6910(4) 0.51685(19) 0.8374(8) 0.0302(13) Uani 1 1 d U .
C8 C 0.7214(4) 0.5567(2) 0.8906(8) 0.0381(14) Uani 1 1 d U .
H8 H 0.6899 0.5812 0.8805 0.046 Uiso 1 1 calc R .
C9 C 0.7993(4) 0.5599(2) 0.9590(8) 0.0387(13) Uani 1 1 d U .
H9 H 0.8192 0.5872 0.9921 0.046 Uiso 1 1 calc R .
C10 C 0.6118(4) 0.5123(2) 0.7337(8) 0.0319(14) Uani 1 1 d U .
C17 C 0.1524(4) 0.6316(2) 0.2438(8) 0.0381(14) Uani 1 1 d U .
H17 H 0.1215 0.6073 0.2449 0.046 Uiso 1 1 calc R .
C18 C 0.2309(4) 0.6267(2) 0.2843(8) 0.0353(14) Uani 1 1 d U .
H18 H 0.2521 0.5995 0.3149 0.042 Uiso 1 1 calc R .
C19 C 0.2785(4) 0.66143(19) 0.2801(7) 0.0267(13) Uani 1 1 d U .
C20 C 0.2447(4) 0.7010(2) 0.2327(9) 0.0393(15) Uani 1 1 d U .
H20 H 0.2746 0.7254 0.2258 0.047 Uiso 1 1 calc R .
C21 C 0.1656(4) 0.7034(2) 0.1960(9) 0.0421(15) Uani 1 1 d U .
H21 H 0.1431 0.7302 0.1640 0.050 Uiso 1 1 calc R .
C22 C 0.3651(4) 0.65507(19) 0.3242(7) 0.0274(13) Uani 1 1 d U .
C23 C 0.7749(4) 0.6810(2) 0.9719(8) 0.0335(14) Uani 1 1 d U .
H23 H 0.8036 0.6643 1.0520 0.040 Uiso 1 1 calc R .
C24 C 0.6976(4) 0.68768(19) 0.9655(8) 0.0301(13) Uani 1 1 d U .
H24 H 0.6751 0.6755 1.0388 0.036 Uiso 1 1 calc R .
C25 C 0.6540(3) 0.71313(18) 0.8464(7) 0.0239(12) Uani 1 1 d U .
C26 C 0.6897(4) 0.7282(2) 0.7382(8) 0.0306(13) Uani 1 1 d U .
H26 H 0.6618 0.7438 0.6543 0.037 Uiso 1 1 calc R .
C27 C 0.7676(4) 0.7201(2) 0.7541(8) 0.0327(12) Uani 1 1 d U .
H27 H 0.7911 0.7313 0.6805 0.039 Uiso 1 1 calc R .
C28 C 0.5725(4) 0.72655(18) 0.8446(7) 0.0252(13) Uani 1 1 d U .
C29 C 0.8447(4) 0.6664(2) 0.4670(8) 0.0384(14) Uani 1 1 d U .
H29 H 0.8771 0.6852 0.4311 0.046 Uiso 1 1 calc R .
C30 C 0.7670(4) 0.6694(2) 0.4052(8) 0.0361(14) Uani 1 1 d U .
H30 H 0.7476 0.6893 0.3275 0.043 Uiso 1 1 calc R .
C31 C 0.7175(4) 0.6423(2) 0.4601(7) 0.0275(13) Uani 1 1 d U .
C32 C 0.7501(4) 0.6121(2) 0.5705(8) 0.0370(14) Uani 1 1 d U .
H32 H 0.7190 0.5927 0.6074 0.044 Uiso 1 1 calc R .
C33 C 0.8288(4) 0.6111(2) 0.6254(8) 0.0406(14) Uani 1 1 d U .
H33 H 0.8498 0.5908 0.7005 0.049 Uiso 1 1 calc R .
C34 C 0.6310(4) 0.6456(2) 0.4007(8) 0.0303(13) Uani 1 1 d U .
C35 C 0.1420(4) 0.6297(2) -0.1675(9) 0.0454(16) Uani 1 1 d U .
H35 H 0.1207 0.6119 -0.1047 0.054 Uiso 1 1 calc R .
C36 C 0.2208(4) 0.6358(2) -0.1287(9) 0.0415(14) Uani 1 1 d U .
H36 H 0.2513 0.6228 -0.0414 0.050 Uiso 1 1 calc R .
C37 C 0.2539(4) 0.6616(2) -0.2216(8) 0.0328(14) Uani 1 1 d U .
C38 C 0.2056(4) 0.6796(2) -0.3491(8) 0.0384(15) Uani 1 1 d U .
H38 H 0.2257 0.6967 -0.4156 0.046 Uiso 1 1 calc R .
C39 C 0.1276(4) 0.6723(2) -0.3780(9) 0.0431(16) Uani 1 1 d U .
H39 H 0.0959 0.6852 -0.4641 0.052 Uiso 1 1 calc R .
C40 C 0.3407(4) 0.6690(2) -0.1837(9) 0.0354(15) Uani 1 1 d U .
C41 C 0.5044(4) 0.5964(2) 0.0713(8) 0.0380(17) Uani 1 1 d U .
C42 C 0.4955(6) 0.5513(2) 0.0108(10) 0.081(3) Uani 1 1 d U .
H42A H 0.4605 0.5513 -0.0890 0.122 Uiso 1 1 calc R .
H42B H 0.4753 0.5331 0.0786 0.122 Uiso 1 1 calc R .
H42C H 0.5448 0.5404 0.0034 0.122 Uiso 1 1 calc R .
Cu1 Cu 0.96769(5) 0.53463(3) 1.02263(11) 0.0389(2) Uani 1 1 d . .
Cu3 Cu 0.99967(5) 0.67466(3) 1.18351(11) 0.0355(2) Uani 1 1 d . .
Cu4 Cu 0.92937(5) 0.68809(2) 0.88896(10) 0.0352(2) Uani 1 1 d . .
Cu5 Cu 0.98608(5) 0.63727(4) 0.65207(13) 0.0628(3) Uani 1 1 d . .
Dy1 Dy 0.486308(16) 0.685462(9) 0.12318(3) 0.02046(9) Uani 1 1 d . .
Dy2 Dy 0.494568(16) 0.573798(8) 0.45449(3) 0.02293(9) Uani 1 1 d . .
N1 N 1.0137(4) 0.48390(19) 1.3153(8) 0.0448(16) Uani 1 1 d . .
N2 N 0.9864(3) 0.62515(18) 1.3161(7) 0.0390(14) Uani 1 1 d . .
N3 N 0.9534(3) 0.76334(18) 1.2739(7) 0.0419(15) Uani 1 1 d . .
N4 N 0.9771(3) 0.59548(17) 0.9761(6) 0.0335(14) Uani 1 1 d . .
N5 N 0.8472(3) 0.52636(17) 0.9803(7) 0.0412(16) Uani 1 1 d . .
N7 N 0.1184(3) 0.66998(16) 0.2029(7) 0.0317(13) Uani 1 1 d . .
N8 N 0.8107(3) 0.69710(16) 0.8699(7) 0.0322(13) Uani 1 1 d . .
N9 N 0.8767(3) 0.63784(19) 0.5764(7) 0.0370(14) Uani 1 1 d . .
N10 N 0.0944(3) 0.6475(2) -0.2890(7) 0.0418(15) Uani 1 1 d . .
O1 O 0.5845(3) 0.47469(16) 0.7143(6) 0.0513(14) Uani 1 1 d . .
O2 O 0.5815(3) 0.54627(15) 0.6718(6) 0.0419(12) Uani 1 1 d . .
O3 O 0.5823(3) 0.46427(17) 1.4126(6) 0.0535(15) Uani 1 1 d . .
O4 O 0.5870(4) 0.53399(17) 1.3624(6) 0.0646(17) Uani 1 1 d . .
O5 O 0.4077(2) 0.68516(13) 0.2945(5) 0.0268(10) Uani 1 1 d . .
O6 O 0.3882(2) 0.61975(14) 0.3861(5) 0.0345(11) Uani 1 1 d . .
O7 O 0.5470(3) 0.71342(15) 0.9529(6) 0.0394(12) Uani 1 1 d . .
O8 O 0.5381(3) 0.75024(14) 0.7407(6) 0.0419(13) Uani 1 1 d . .
O9 O 0.6068(3) 0.66995(15) 0.2881(6) 0.0436(13) Uani 1 1 d . .
O10 O 0.5906(2) 0.62447(14) 0.4709(5) 0.0327(11) Uani 1 1 d . .
O11 O 0.3768(3) 0.65857(14) -0.0496(6) 0.0382(12) Uani 1 1 d . .
O12 O 0.3686(3) 0.68353(17) -0.2872(7) 0.0562(15) Uani 1 1 d . .
O13 O 0.4838(3) 0.60608(12) 0.1925(5) 0.0297(10) Uani 1 1 d . .
O14 O 0.5310(3) 0.62438(14) -0.0019(5) 0.0394(12) Uani 1 1 d . .
O15W O 0.3987(3) 0.74739(13) 0.0255(5) 0.0362(12) Uani 1 1 d . .
H15A H 0.3603 0.7583 -0.0383 0.043 Uiso 1 1 d R .
H15W H 0.4165 0.7667 0.0925 0.043 Uiso 1 1 d R .
O16W O 0.4896(3) 0.62147(14) 0.6697(5) 0.0417(12) Uani 1 1 d . .
H16A H 0.4518 0.6389 0.6605 0.050 Uiso 1 1 d R .
H16B H 0.5133 0.6208 0.7638 0.050 Uiso 1 1 d R .
C16 C 0.6149(4) 0.4969(2) 1.3803(8) 0.0307(13) Uani 1 1 d 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'
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'
Cu Cu 0.3201 1.2651 '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
C2 Cu2 N1 136.9(3) 3_768 .
C2 Cu2 N6 118.3(4) 3_768 .
N1 Cu2 N6 103.2(3) . .
C2 Cu2B N1 131.4(3) . 3_768
C2 Cu2B N6B 120.5(6) . .
N1 Cu2B N6B 103.3(6) 3_768 .
C2 Cu2B Cu2B 126.0(3) . 3_768
N1 Cu2B Cu2B 59.80(19) 3_768 3_768
N6B Cu2B Cu2B 98.5(5) . 3_768
N6 C11 C12 125.2(10) . .
N6 C11 H11 117.4 . .
C12 C11 H11 117.4 . .
C11 C12 C13 119.6(11) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C14 C13 C12 116.3(13) . .
C14 C13 C16 124.5(9) . .
C12 C13 C16 119.2(10) . .
C13 C14 C15 120.1(10) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
N6 C15 C14 122.6(11) . .
N6 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
C15 N6 C11 115.9(10) . .
C15 N6 Cu2 124.4(9) . .
C11 N6 Cu2 119.5(7) . .
N6B C11B C12B 120.0(19) . .
N6B C11B H11B 120.0 . .
C12B C11B H11B 120.0 . .
C13B C12B C11B 118(2) . .
C13B C12B H12B 121.2 . .
C11B C12B H12B 121.2 . .
C12B C13B C14B 122(2) . .
C12B C13B C16 120.3(19) . .
C14B C13B C16 117.6(17) . .
C13B C14B C15B 118.0(19) . .
C13B C14B H14B 121.0 . .
C15B C14B H14B 121.0 . .
N6B C15B C14B 122.1(18) . .
N6B C15B H15B 118.9 . .
C14B C15B H15B 118.9 . .
C15B N6B C11B 118.2(19) . .
C15B N6B Cu2B 116.6(13) . .
C11B N6B Cu2B 124.2(16) . .
N1 C1 Cu1 154.4(7) . .
N1 C1 Cu1 130.5(6) . 3_767
Cu1 C1 Cu1 70.5(3) . 3_767
N2 C2 Cu2B 156.1(7) . .
N2 C2 Cu2 166.5(7) . 3_768
Cu2B C2 Cu2 37.33(17) . 3_768
N3 C3 Cu3 167.4(7) . .
N4 C4 Cu4 163.0(6) . .
N4 C4 Cu3 118.1(5) . .
Cu4 C4 Cu3 77.9(2) . .
N5 C5 C6 123.7(7) . .
N5 C5 H5 118.1 . .
C6 C5 H5 118.1 . .
C7 C6 C5 119.6(7) . .
C7 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
C6 C7 C8 117.1(6) . .
C6 C7 C10 120.5(6) . .
C8 C7 C10 122.1(6) . .
C7 C8 C9 119.2(6) . .
C7 C8 H8 120.4 . .
C9 C8 H8 120.4 . .
N5 C9 C8 123.7(6) . .
N5 C9 H9 118.1 . .
C8 C9 H9 118.1 . .
O2 C10 O1 126.9(6) . .
O2 C10 C7 116.3(6) . .
O1 C10 C7 116.8(6) . .
N7 C17 C18 122.6(6) . .
N7 C17 H17 118.7 . .
C18 C17 H17 118.7 . .
C17 C18 C19 120.6(6) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C18 C19 C20 117.9(6) . .
C18 C19 C22 119.6(5) . .
C20 C19 C22 122.5(6) . .
C21 C20 C19 118.0(6) . .
C21 C20 H20 121.0 . .
C19 C20 H20 121.0 . .
N7 C21 C20 124.8(6) . .
N7 C21 H21 117.6 . .
C20 C21 H21 117.6 . .
O6 C22 O5 125.5(6) . .
O6 C22 C19 115.9(5) . .
O5 C22 C19 118.6(5) . .
N8 C23 C24 123.8(6) . .
N8 C23 H23 118.1 . .
C24 C23 H23 118.1 . .
C23 C24 C25 118.6(6) . .
C23 C24 H24 120.7 . .
C25 C24 H24 120.7 . .
C26 C25 C24 117.7(6) . .
C26 C25 C28 121.1(5) . .
C24 C25 C28 121.1(6) . .
C25 C26 C27 119.8(6) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
N8 C27 C26 123.2(6) . .
N8 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
O8 C28 O7 125.5(6) . .
O8 C28 C25 118.3(6) . .
O7 C28 C25 116.2(5) . .
N9 C29 C30 123.7(7) . .
N9 C29 H29 118.1 . .
C30 C29 H29 118.1 . .
C29 C30 C31 119.0(6) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
C32 C31 C30 117.6(6) . .
C32 C31 C34 121.1(6) . .
C30 C31 C34 121.2(6) . .
C33 C32 C31 119.4(6) . .
C33 C32 H32 120.3 . .
C31 C32 H32 120.3 . .
N9 C33 C32 123.4(6) . .
N9 C33 H33 118.3 . .
C32 C33 H33 118.3 . .
O9 C34 O10 126.3(6) . .
O9 C34 C31 116.8(6) . .
O10 C34 C31 116.9(6) . .
N10 C35 C36 124.1(7) . .
N10 C35 H35 117.9 . .
C36 C35 H35 117.9 . .
C35 C36 C37 119.0(7) . .
C35 C36 H36 120.5 . .
C37 C36 H36 120.5 . .
C38 C37 C36 117.6(6) . .
C38 C37 C40 121.7(7) . .
C36 C37 C40 120.7(6) . .
C37 C38 C39 119.6(7) . .
C37 C38 H38 120.2 . .
C39 C38 H38 120.2 . .
N10 C39 C38 123.8(7) . .
N10 C39 H39 118.1 . .
C38 C39 H39 118.1 . .
O12 C40 O11 126.9(7) . .
O12 C40 C37 117.3(6) . .
O11 C40 C37 115.7(7) . .
O14 C41 O13 121.3(6) . .
O14 C41 C42 118.1(7) . .
O13 C41 C42 120.5(7) . .
O14 C41 Dy1 59.3(3) . .
O13 C41 Dy1 63.8(3) . .
C42 C41 Dy1 164.8(6) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N4 Cu1 C1 134.2(3) . .
N4 Cu1 N5 102.5(2) . .
C1 Cu1 N5 105.3(3) . .
N4 Cu1 C1 100.9(2) . 3_767
C1 Cu1 C1 109.5(3) . 3_767
N5 Cu1 C1 99.4(3) . 3_767
N4 Cu1 Cu1 136.06(18) . 3_767
C1 Cu1 Cu1 62.2(2) . 3_767
N5 Cu1 Cu1 111.08(16) . 3_767
C1 Cu1 Cu1 47.26(18) 3_767 3_767
C3 Cu3 N2 120.4(3) . .
C3 Cu3 N7 113.3(2) . 1_656
N2 Cu3 N7 99.5(2) . 1_656
C3 Cu3 C4 130.6(3) . .
N2 Cu3 C4 92.3(2) . .
N7 Cu3 C4 94.2(2) 1_656 .
C3 Cu3 Cu4 87.3(2) . .
N2 Cu3 Cu4 128.20(17) . .
N7 Cu3 Cu4 108.42(17) 1_656 .
C4 Cu3 Cu4 44.10(16) . .
C4 Cu4 N3 141.6(3) . 4_575
C4 Cu4 N8 114.1(3) . .
N3 Cu4 N8 101.9(2) 4_575 .
C4 Cu4 Cu3 58.0(2) . .
N3 Cu4 Cu3 122.73(19) 4_575 .
N8 Cu4 Cu3 108.80(16) . .
C4 Cu4 Cu5 68.5(2) . .
N3 Cu4 Cu5 82.12(19) 4_575 .
N8 Cu4 Cu5 121.11(16) . .
Cu3 Cu4 Cu5 117.66(4) . .
N10 Cu5 N9 169.1(3) 1_656 .
N10 Cu5 Cu4 102.21(19) 1_656 .
N9 Cu5 Cu4 75.87(18) . .
O7 Dy1 O8 77.38(18) 1_554 4_575
O7 Dy1 O5 157.17(15) 1_554 .
O8 Dy1 O5 86.53(16) 4_575 .
O7 Dy1 O11 98.37(17) 1_554 .
O8 Dy1 O11 141.31(16) 4_575 .
O5 Dy1 O11 84.08(16) . .
O7 Dy1 O9 89.34(17) 1_554 .
O8 Dy1 O9 71.47(17) 4_575 .
O5 Dy1 O9 100.88(17) . .
O11 Dy1 O9 147.20(16) . .
O7 Dy1 O14 73.21(17) 1_554 .
O8 Dy1 O14 136.93(17) 4_575 .
O5 Dy1 O14 128.76(15) . .
O11 Dy1 O14 74.55(16) . .
O9 Dy1 O14 77.38(17) . .
O7 Dy1 O15W 80.40(16) 1_554 .
O8 Dy1 O15W 69.95(16) 4_575 .
O5 Dy1 O15W 78.91(15) . .
O11 Dy1 O15W 71.42(15) . .
O9 Dy1 O15W 141.37(15) . .
O14 Dy1 O15W 132.79(16) . .
O7 Dy1 O13 125.32(16) 1_554 .
O8 Dy1 O13 137.63(16) 4_575 .
O5 Dy1 O13 77.39(14) . .
O11 Dy1 O13 76.11(15) . .
O9 Dy1 O13 73.50(14) . .
O14 Dy1 O13 52.64(15) . .
O15W Dy1 O13 141.33(14) . .
O7 Dy1 C41 99.5(2) 1_554 .
O8 Dy1 C41 148.74(19) 4_575 .
O5 Dy1 C41 102.64(19) . .
O11 Dy1 C41 69.88(18) . .
O9 Dy1 C41 77.43(19) . .
O14 Dy1 C41 26.26(18) . .
O15W Dy1 C41 140.85(18) . .
O13 Dy1 C41 26.86(17) . .
O10 Dy2 O6 98.95(15) . .
O10 Dy2 O2 81.78(16) . .
O6 Dy2 O2 140.70(17) . .
O10 Dy2 O1 142.86(18) . 3_666
O6 Dy2 O1 83.63(18) . 3_666
O2 Dy2 O1 119.07(17) . 3_666
O10 Dy2 O3 145.89(18) . 3_667
O6 Dy2 O3 84.00(17) . 3_667
O2 Dy2 O3 75.23(17) . 3_667
O1 Dy2 O3 71.20(19) 3_666 3_667
O10 Dy2 O4 78.33(19) . 1_554
O6 Dy2 O4 144.80(18) . 1_554
O2 Dy2 O4 74.19(19) . 1_554
O1 Dy2 O4 78.8(2) 3_666 1_554
O3 Dy2 O4 117.9(2) 3_667 1_554
O10 Dy2 O16W 73.37(16) . .
O6 Dy2 O16W 70.25(16) . .
O2 Dy2 O16W 72.48(16) . .
O1 Dy2 O16W 139.67(18) 3_666 .
O3 Dy2 O16W 75.85(18) 3_667 .
O4 Dy2 O16W 138.67(18) 1_554 .
O10 Dy2 O13 71.32(14) . .
O6 Dy2 O13 69.03(15) . .
O2 Dy2 O13 143.90(16) . .
O1 Dy2 O13 75.30(16) 3_666 .
O3 Dy2 O13 138.85(16) 3_667 .
O4 Dy2 O13 77.08(17) 1_554 .
O16W Dy2 O13 119.71(14) . .
C1 N1 Cu2 154.5(7) . .
C1 N1 Cu2B 167.7(7) . 3_768
Cu2 N1 Cu2B 36.42(15) . 3_768
C2 N2 Cu3 168.1(6) . .
C3 N3 Cu4 170.7(6) . 4_576
C4 N4 Cu1 162.8(6) . .
C9 N5 C5 116.2(6) . .
C9 N5 Cu1 121.9(5) . .
C5 N5 Cu1 120.4(5) . .
C17 N7 C21 116.1(6) . .
C17 N7 Cu3 117.9(4) . 1_454
C21 N7 Cu3 125.5(4) . 1_454
C23 N8 C27 116.8(6) . .
C23 N8 Cu4 122.5(4) . .
C27 N8 Cu4 120.7(5) . .
C33 N9 C29 116.8(6) . .
C33 N9 Cu5 124.1(5) . .
C29 N9 Cu5 119.1(5) . .
C35 N10 C39 116.0(6) . .
C35 N10 Cu5 124.3(6) . 1_454
C39 N10 Cu5 119.6(5) . 1_454
C10 O1 Dy2 146.4(5) . 3_666
C10 O2 Dy2 143.7(4) . .
C16 O3 Dy2 154.0(5) . 3_667
C16 O4 Dy2 136.4(5) . 1_556
C22 O5 Dy1 129.3(4) . .
C22 O6 Dy2 144.0(4) . .
C28 O7 Dy1 171.6(5) . 1_556
C28 O8 Dy1 157.2(5) . 4_576
C34 O9 Dy1 135.9(4) . .
C34 O10 Dy2 146.5(4) . .
C40 O11 Dy1 134.3(4) . .
C41 O13 Dy1 89.3(4) . .
C41 O13 Dy2 137.7(4) . .
Dy1 O13 Dy2 127.59(17) . .
C41 O14 Dy1 94.5(4) . .
Dy1 O15W H15A 151.4 . .
Dy1 O15W H15W 100.9 . .
H15A O15W H15W 107.7 . .
Dy2 O16W H16A 118.7 . .
Dy2 O16W H16B 132.0 . .
H16A O16W H16B 107.7 . .
O3 C16 O4 125.5(7) . .
O3 C16 C13B 127.8(9) . .
O4 C16 C13B 106.7(9) . .
O3 C16 C13 111.8(6) . .
O4 C16 C13 122.5(7) . .
C13B C16 C13 16.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu2 C2 1.928(8) 3_768
Cu2 N1 1.929(7) .
Cu2 N6 2.098(9) .
Cu2B C2 1.926(8) .
Cu2B N1 2.010(7) 3_768
Cu2B N6B 2.093(18) .
Cu2B Cu2B 3.006(5) 3_768
C11 N6 1.346(13) .
C11 C12 1.357(14) .
C11 H11 0.9300 .
C12 C13 1.411(14) .
C12 H12 0.9300 .
C13 C14 1.377(17) .
C13 C16 1.520(16) .
C14 C15 1.421(17) .
C14 H14 0.9300 .
C15 N6 1.340(15) .
C15 H15 0.9300 .
C11B N6B 1.34(3) .
C11B C12B 1.48(3) .
C11B H11B 0.9300 .
C12B C13B 1.30(3) .
C12B H12B 0.9300 .
C13B C14B 1.39(3) .
C13B C16 1.45(3) .
C14B C15B 1.40(3) .
C14B H14B 0.9300 .
C15B N6B 1.32(3) .
C15B H15B 0.9300 .
C1 N1 1.121(9) .
C1 Cu1 1.946(8) .
C1 Cu1 2.344(8) 3_767
C2 N2 1.147(9) .
C2 Cu2 1.928(8) 3_768
C3 N3 1.132(8) .
C3 Cu3 1.898(7) .
C4 N4 1.144(7) .
C4 Cu4 1.903(6) .
C4 Cu3 2.319(6) .
C5 N5 1.328(9) .
C5 C6 1.374(10) .
C5 H5 0.9300 .
C6 C7 1.370(9) .
C6 H6 0.9300 .
C7 C8 1.377(8) .
C7 C10 1.500(9) .
C8 C9 1.380(9) .
C8 H8 0.9300 .
C9 N5 1.323(8) .
C9 H9 0.9300 .
C10 O2 1.242(7) .
C10 O1 1.249(7) .
C17 N7 1.334(8) .
C17 C18 1.369(9) .
C17 H17 0.9300 .
C18 C19 1.370(9) .
C18 H18 0.9300 .
C19 C20 1.378(8) .
C19 C22 1.513(8) .
C20 C21 1.372(9) .
C20 H20 0.9300 .
C21 N7 1.338(8) .
C21 H21 0.9300 .
C22 O6 1.243(7) .
C22 O5 1.265(7) .
C23 N8 1.334(8) .
C23 C24 1.382(9) .
C23 H23 0.9300 .
C24 C25 1.400(8) .
C24 H24 0.9300 .
C25 C26 1.366(9) .
C25 C28 1.509(8) .
C26 C27 1.386(9) .
C26 H26 0.9300 .
C27 N8 1.337(8) .
C27 H27 0.9300 .
C28 O8 1.225(7) .
C28 O7 1.239(7) .
C29 N9 1.337(8) .
C29 C30 1.366(9) .
C29 H29 0.9300 .
C30 C31 1.390(9) .
C30 H30 0.9300 .
C31 C32 1.379(8) .
C31 C34 1.509(9) .
C32 C33 1.372(9) .
C32 H32 0.9300 .
C33 N9 1.334(9) .
C33 H33 0.9300 .
C34 O9 1.248(7) .
C34 O10 1.250(7) .
C35 N10 1.328(9) .
C35 C36 1.379(9) .
C35 H35 0.9300 .
C36 C37 1.384(10) .
C36 H36 0.9300 .
C37 C38 1.372(9) .
C37 C40 1.521(9) .
C38 C39 1.373(9) .
C38 H38 0.9300 .
C39 N10 1.340(9) .
C39 H39 0.9300 .
C40 O12 1.241(9) .
C40 O11 1.263(8) .
C41 O14 1.245(8) .
C41 O13 1.268(8) .
C41 C42 1.480(10) .
C41 Dy1 2.806(6) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
Cu1 N4 1.930(5) .
Cu1 N5 2.107(6) .
Cu1 C1 2.344(8) 3_767
Cu1 Cu1 2.4989(17) 3_767
Cu3 N2 1.981(6) .
Cu3 N7 2.090(5) 1_656
Cu3 Cu4 2.6737(14) .
Cu4 N3 1.922(6) 4_575
Cu4 N8 2.102(5) .
Cu4 Cu5 3.0079(16) .
Cu5 N10 1.904(6) 1_656
Cu5 N9 1.906(5) .
Dy1 O7 2.250(5) 1_554
Dy1 O8 2.322(4) 4_575
Dy1 O5 2.323(4) .
Dy1 O11 2.332(4) .
Dy1 O9 2.346(4) .
Dy1 O14 2.419(4) .
Dy1 O15W 2.482(4) .
Dy1 O13 2.518(4) .
Dy2 O10 2.293(4) .
Dy2 O6 2.325(4) .
Dy2 O2 2.339(5) .
Dy2 O1 2.339(5) 3_666
Dy2 O3 2.340(5) 3_667
Dy2 O4 2.360(5) 1_554
Dy2 O16W 2.445(4) .
Dy2 O13 2.520(4) .
N1 Cu2B 2.010(7) 3_768
N3 Cu4 1.922(6) 4_576
N7 Cu3 2.090(5) 1_454
N10 Cu5 1.904(6) 1_454
O1 Dy2 2.339(5) 3_666
O3 C16 1.228(8) .
O3 Dy2 2.340(5) 3_667
O4 C16 1.238(7) .
O4 Dy2 2.360(5) 1_556
O7 Dy1 2.250(5) 1_556
O8 Dy1 2.322(4) 4_576
O15W H15A 0.8500 .
O15W H15W 0.8499 .
O16W H16A 0.8499 .
O16W H16B 0.8500 .
