#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:08:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180467 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/36/7213626.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_7213626
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         'C87 H64 Cu9 Dy6 N19 O36, 2(H2 O)'
_chemical_formula_sum            'C87 H68 Cu9 Dy6 N19 O38'
_chemical_formula_weight         3534.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.9560(10)
_cell_angle_beta                 95.6490(10)
_cell_angle_gamma                97.9160(10)
_cell_formula_units_Z            1
_cell_length_a                   11.7096(9)
_cell_length_b                   12.7197(10)
_cell_length_c                   18.5102(15)
_cell_measurement_reflns_used    9193
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      1.72
_cell_volume                     2552.3(3)
_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 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13417
_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    6.256
_exptl_absorpt_correction_T_max  0.286
_exptl_absorpt_correction_T_min  0.243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 (Bruker, 2005)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.811
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.00022(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         9193
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0303P)²+8.0632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0848
_reflns_number_gt                7453
_reflns_number_total             9193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42025f.txt
_cod_data_source_block           IV-B
_cod_database_code               7213626
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.1919(6) -0.1994(7) 1.0097(4) 0.0329(16) Uani 1 1 d U
C2 C -0.1157(6) 0.5996(7) 0.0338(4) 0.0354(17) Uani 1 1 d U
C3 C -0.0097(7) -0.0395(6) 0.0098(4) 0.0437(18) Uani 0.50 1 d P
C4 C 0.4861(10) 0.7492(10) 0.9768(5) 0.073(4) Uani 1 1 d U
C5 C 0.2937(7) 0.1783(6) 0.1363(4) 0.0364(18) Uani 1 1 d .
H5 H 0.2548 0.2109 0.1053 0.044 Uiso 1 1 calc R
C6 C 0.3481(6) 0.2454(6) 0.2086(4) 0.0331(17) Uani 1 1 d .
H6 H 0.3438 0.3219 0.2262 0.040 Uiso 1 1 calc R
C7 C 0.4096(5) 0.2008(6) 0.2559(4) 0.0237(14) Uani 1 1 d .
C8 C 0.4127(6) 0.0873(6) 0.2253(4) 0.0330(17) Uani 1 1 d .
H8 H 0.4547 0.0536 0.2541 0.040 Uiso 1 1 calc R
C9 C 0.3549(6) 0.0233(6) 0.1533(4) 0.0354(18) Uani 1 1 d .
H9 H 0.3578 -0.0534 0.1348 0.042 Uiso 1 1 calc R
C10 C 0.4630(5) 0.2693(5) 0.3381(4) 0.0211(14) Uani 1 1 d .
C11 C 0.2544(7) 0.0409(6) 0.8791(4) 0.0362(18) Uani 1 1 d .
H11 H 0.2526 0.1110 0.9155 0.043 Uiso 1 1 calc R
C12 C 0.2724(7) 0.0348(6) 0.8045(4) 0.0354(18) Uani 1 1 d .
H12 H 0.2836 0.1001 0.7919 0.043 Uiso 1 1 calc R
C13 C 0.2734(6) -0.0683(6) 0.7498(4) 0.0263(15) Uani 1 1 d .
C14 C 0.2599(6) -0.1624(6) 0.7721(4) 0.0335(17) Uani 1 1 d .
H14 H 0.2616 -0.2334 0.7370 0.040 Uiso 1 1 calc R
C15 C 0.2440(7) -0.1498(6) 0.8469(4) 0.0392(19) Uani 1 1 d .
H15 H 0.2358 -0.2137 0.8613 0.047 Uiso 1 1 calc R
C16 C 0.2941(6) -0.0807(6) 0.6675(4) 0.0273(15) Uani 1 1 d .
C17 C -0.0076(7) 0.5783(7) 0.2094(5) 0.047(2) Uani 1 1 d .
H17 H -0.0402 0.6377 0.2024 0.057 Uiso 1 1 calc R
C18 C 0.0582(7) 0.5962(6) 0.2809(5) 0.042(2) Uani 1 1 d .
H18 H 0.0690 0.6660 0.3202 0.050 Uiso 1 1 calc R
C19 C 0.1064(6) 0.5099(6) 0.2927(4) 0.0272(15) Uani 1 1 d .
C20 C 0.0860(7) 0.4079(7) 0.2326(4) 0.0378(18) Uani 1 1 d .
H20 H 0.1156 0.3467 0.2391 0.045 Uiso 1 1 calc R
C21 C 0.0215(7) 0.3962(7) 0.1625(5) 0.043(2) Uani 1 1 d .
H21 H 0.0108 0.3273 0.1224 0.052 Uiso 1 1 calc R
C22 C 0.1799(5) 0.5247(6) 0.3686(4) 0.0242(15) Uani 1 1 d .
C23 C 0.1121(7) -0.1135(6) 0.2111(5) 0.044(2) Uani 1 1 d .
H23 H 0.1155 -0.1897 0.1890 0.052 Uiso 1 1 calc R
C24 C 0.1705(7) -0.0559(6) 0.2845(4) 0.0367(19) Uani 1 1 d .
H24 H 0.2095 -0.0936 0.3118 0.044 Uiso 1 1 calc R
C25 C 0.1710(6) 0.0594(5) 0.3181(4) 0.0247(15) Uani 1 1 d .
C26 C 0.1076(6) 0.1088(6) 0.2748(4) 0.0337(17) Uani 1 1 d .
H26 H 0.1042 0.1853 0.2947 0.040 Uiso 1 1 calc R
C27 C 0.0501(7) 0.0437(7) 0.2026(5) 0.041(2) Uani 1 1 d .
H27 H 0.0079 0.0783 0.1745 0.049 Uiso 1 1 calc R
C28 C 0.2435(5) 0.1281(5) 0.3946(4) 0.0229(14) Uani 1 1 d .
C29 C 0.3229(8) 0.3991(8) 0.8451(5) 0.050(2) Uani 1 1 d .
H29 H 0.3069 0.3612 0.8793 0.060 Uiso 1 1 calc R
C30 C 0.3147(7) 0.3356(6) 0.7685(4) 0.0366(18) Uani 1 1 d .
H30 H 0.2949 0.2572 0.7520 0.044 Uiso 1 1 calc R
C31 C 0.3363(6) 0.3899(5) 0.7160(4) 0.0236(14) Uani 1 1 d .
C32 C 0.3631(8) 0.5062(6) 0.7442(4) 0.044(2) Uani 1 1 d .
H32 H 0.3755 0.5462 0.7108 0.053 Uiso 1 1 calc R
C33 C 0.3714(9) 0.5619(7) 0.8217(5) 0.054(2) Uani 1 1 d .
H33 H 0.3917 0.6403 0.8396 0.065 Uiso 1 1 calc R
C34 C 0.3380(5) 0.3253(5) 0.6331(4) 0.0240(15) Uani 1 1 d .
C35 C 0.5594(8) 0.2584(8) 0.8631(5) 0.052(2) Uani 1 1 d .
H35 H 0.5269 0.2116 0.8881 0.062 Uiso 1 1 calc R
C36 C 0.5556(8) 0.2140(7) 0.7838(4) 0.046(2) Uani 1 1 d .
H36 H 0.5232 0.1386 0.7569 0.055 Uiso 1 1 calc R
C37 C 0.5999(6) 0.2822(6) 0.7449(4) 0.0264(15) Uani 1 1 d .
C38 C 0.6457(7) 0.3914(7) 0.7878(5) 0.046(2) Uani 1 1 d .
H38 H 0.6747 0.4406 0.7635 0.055 Uiso 1 1 calc R
C39 C 0.6499(8) 0.4303(8) 0.8671(5) 0.056(2) Uani 1 1 d .
H39 H 0.6834 0.5051 0.8952 0.067 Uiso 1 1 calc R
C40 C 0.5888(5) 0.2337(6) 0.6579(4) 0.0234(14) Uani 1 1 d .
C41 C 0.1514(6) -0.0957(6) 0.5049(4) 0.0301(16) Uani 1 1 d .
C42 C 0.0373(6) -0.1748(7) 0.4893(6) 0.056(3) Uani 1 1 d .
H42A H 0.0239 -0.1913 0.5351 0.084 Uiso 1 1 calc R
H42B H 0.0394 -0.2435 0.4482 0.084 Uiso 1 1 calc R
H42C H -0.0245 -0.1400 0.4745 0.084 Uiso 1 1 calc R
C43 C 0.1796(6) 0.5270(6) 0.5534(4) 0.0277(16) Uani 1 1 d .
C44 C 0.0943(7) 0.5846(7) 0.6012(5) 0.049(2) Uani 1 1 d .
H44A H 0.0161 0.5474 0.5773 0.073 Uiso 1 1 calc R
H44B H 0.1042 0.6623 0.6044 0.073 Uiso 1 1 calc R
H44C H 0.1081 0.5808 0.6522 0.073 Uiso 1 1 calc R
Cu1 Cu 0.21751(10) -0.04620(9) 1.00644(6) 0.0496(3) Uani 1 1 d .
Cu2 Cu -0.12678(9) 0.45525(9) 0.04123(6) 0.0457(3) Uani 1 1 d .
Cu3 Cu -0.02299(10) -0.15476(9) 0.05402(6) 0.0498(3) Uani 1 1 d .
Cu4 Cu 0.37779(11) 0.60054(12) 0.98304(6) 0.0674(4) Uani 1 1 d .
Cu5 Cu 0.5000 1.0000 1.0000 0.0816(6) Uani 1 2 d SU
Dy1 Dy 0.34692(2) -0.26737(2) 0.509479(17) 0.01705(8) Uani 1 1 d .
Dy2 Dy 0.37096(3) 0.04855(2) 0.542051(17) 0.01934(9) Uani 1 1 d .
Dy3 Dy 0.34615(3) 0.41845(2) 0.474503(17) 0.01820(9) Uani 1 1 d .
N1 N 0.1778(6) -0.2971(6) 0.9965(4) 0.0500(18) Uani 1 1 d U
N2 N -0.0919(6) 0.6938(6) 0.0383(4) 0.0506(18) Uani 1 1 d U
N3 N -0.0097(7) -0.0395(6) 0.0098(4) 0.0437(18) Uani 0.50 1 d P
N4 N 0.4909(8) 0.8397(10) 0.9833(5) 0.084(3) Uani 1 1 d U
N5 N 0.2944(5) 0.0665(5) 0.1083(3) 0.0340(14) Uani 1 1 d .
N6 N 0.2397(5) -0.0504(5) 0.9000(3) 0.0325(14) Uani 1 1 d .
N7 N -0.0260(6) 0.4804(5) 0.1505(4) 0.0416(17) Uani 1 1 d .
N8 N 0.0513(6) -0.0666(5) 0.1700(4) 0.0377(15) Uani 1 1 d .
N9 N 0.3522(6) 0.5109(6) 0.8739(4) 0.0460(17) Uani 1 1 d .
N10 N 0.6067(6) 0.3631(6) 0.9048(3) 0.0412(16) Uani 1 1 d .
O1 O 0.4444(4) 0.3680(4) 0.3642(3) 0.0271(11) Uani 1 1 d .
O2 O 0.5169(4) 0.2199(4) 0.3750(3) 0.0278(11) Uani 1 1 d .
O3 O 0.3440(4) 0.0066(4) 0.6577(3) 0.0316(11) Uani 1 1 d .
O4 O 0.2602(4) -0.1757(4) 0.6176(3) 0.0282(11) Uani 1 1 d .
O5 O 0.1831(4) 0.6159(4) 0.4226(3) 0.0282(11) Uani 1 1 d .
O6 O 0.2312(4) 0.4468(4) 0.3716(3) 0.0327(12) Uani 1 1 d .
O7 O 0.2835(4) 0.0748(4) 0.4341(3) 0.0337(12) Uani 1 1 d .
O8 O 0.2589(4) 0.2335(4) 0.4127(3) 0.0318(11) Uani 1 1 d .
O9 O 0.3341(4) 0.2208(4) 0.6144(3) 0.0347(12) Uani 1 1 d .
O10 O 0.3475(4) 0.3793(4) 0.5883(3) 0.0304(11) Uani 1 1 d .
O11 O 0.5495(4) 0.1287(4) 0.6279(3) 0.0304(11) Uani 1 1 d .
O12 O 0.6163(4) 0.2995(4) 0.6225(3) 0.0284(11) Uani 1 1 d .
O13 O 0.2419(4) -0.1338(4) 0.4787(3) 0.0246(10) Uani 1 1 d .
O14 O 0.1605(4) 0.0062(4) 0.5420(3) 0.0379(13) Uani 1 1 d .
O15 O 0.1535(4) 0.4252(4) 0.5120(3) 0.0370(13) Uani 1 1 d .
O16 O 0.2815(4) 0.5845(4) 0.5574(3) 0.0239(10) Uani 1 1 d .
O17 O 0.4796(3) -0.0989(3) 0.5275(2) 0.0184(9) Uani 1 1 d D
H17A H 0.5054 -0.0816 0.5735 0.022 Uiso 1 1 d RD
O18 O 0.4585(3) 0.5877(3) 0.4745(2) 0.0190(9) Uani 1 1 d D
H18A H 0.4607 0.5806 0.4292 0.023 Uiso 1 1 d RD
O19W O 0.0928(12) 0.1366(13) 0.6832(8) 0.223(7) Uani 1 1 d .
H19A H 0.0249 0.1423 0.6947 0.268 Uiso 1 1 d R
H19B H 0.0851 0.0957 0.6358 0.268 Uiso 1 1 d R
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'
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'
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
N1 C1 Cu1 166.8(7) . .
N2 C2 Cu2 168.4(7) . .
N3 C3 C3 0.0(9) 2 2
N3 C3 Cu3 171.4(10) 2 .
C3 C3 Cu3 171.4(10) 2 .
N4 C4 Cu4 145.0(12) . .
N5 C5 C6 122.4(7) . .
N5 C5 H5 118.8 . .
C6 C5 H5 118.8 . .
C5 C6 C7 120.7(7) . .
C5 C6 H6 119.7 . .
C7 C6 H6 119.7 . .
C8 C7 C6 116.1(6) . .
C8 C7 C10 121.2(6) . .
C6 C7 C10 122.5(6) . .
C9 C8 C7 121.0(7) . .
C9 C8 H8 119.5 . .
C7 C8 H8 119.5 . .
N5 C9 C8 122.7(7) . .
N5 C9 H9 118.7 . .
C8 C9 H9 118.7 . .
O1 C10 O2 126.1(6) . .
O1 C10 C7 117.1(6) . .
O2 C10 C7 116.7(6) . .
N6 C11 C12 122.1(7) . .
N6 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C13 C12 C11 119.7(6) . .
C13 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
C12 C13 C14 117.9(6) . .
C12 C13 C16 122.3(6) . .
C14 C13 C16 119.8(6) . .
C15 C14 C13 119.2(7) . .
C15 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
N6 C15 C14 123.4(7) . .
N6 C15 H15 118.3 . .
C14 C15 H15 118.3 . .
O4 C16 O3 127.1(6) . .
O4 C16 C13 116.6(6) . .
O3 C16 C13 116.3(6) . .
N7 C17 C18 123.4(7) . .
N7 C17 H17 118.3 . .
C18 C17 H17 118.3 . .
C19 C18 C17 119.4(7) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
C18 C19 C20 117.6(7) . .
C18 C19 C22 121.8(6) . .
C20 C19 C22 120.6(6) . .
C19 C20 C21 120.1(7) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
N7 C21 C20 122.6(7) . .
N7 C21 H21 118.7 . .
C20 C21 H21 118.7 . .
O6 C22 O5 126.3(6) . .
O6 C22 C19 117.6(6) . .
O5 C22 C19 116.1(6) . .
N8 C23 C24 123.6(7) . .
N8 C23 H23 118.2 . .
C24 C23 H23 118.2 . .
C23 C24 C25 119.7(7) . .
C23 C24 H24 120.2 . .
C25 C24 H24 120.2 . .
C26 C25 C24 116.7(6) . .
C26 C25 C28 121.7(6) . .
C24 C25 C28 121.5(6) . .
C27 C26 C25 119.4(7) . .
C27 C26 H26 120.3 . .
C25 C26 H26 120.3 . .
N8 C27 C26 123.9(7) . .
N8 C27 H27 118.1 . .
C26 C27 H27 118.1 . .
O8 C28 O7 126.2(6) . .
O8 C28 C25 117.1(6) . .
O7 C28 C25 116.7(6) . .
N9 C29 C30 124.5(7) . .
N9 C29 H29 117.7 . .
C30 C29 H29 117.7 . .
C29 C30 C31 119.0(7) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
C32 C31 C30 117.5(7) . .
C32 C31 C34 120.9(6) . .
C30 C31 C34 121.5(6) . .
C33 C32 C31 119.2(7) . .
C33 C32 H32 120.4 . .
C31 C32 H32 120.4 . .
N9 C33 C32 124.4(8) . .
N9 C33 H33 117.8 . .
C32 C33 H33 117.8 . .
O10 C34 O9 124.9(7) . .
O10 C34 C31 117.7(6) . .
O9 C34 C31 117.4(6) . .
N10 C35 C36 123.3(8) . .
N10 C35 H35 118.4 . .
C36 C35 H35 118.4 . .
C35 C36 C37 119.7(8) . .
C35 C36 H36 120.2 . .
C37 C36 H36 120.2 . .
C38 C37 C36 117.0(7) . .
C38 C37 C40 124.3(7) . .
C36 C37 C40 118.7(6) . .
C37 C38 C39 120.9(8) . .
C37 C38 H38 119.6 . .
C39 C38 H38 119.6 . .
N10 C39 C38 121.8(8) . .
N10 C39 H39 119.1 . .
C38 C39 H39 119.1 . .
O12 C40 O11 126.3(6) . .
O12 C40 C37 118.1(6) . .
O11 C40 C37 115.5(6) . .
O14 C41 O13 119.3(6) . .
O14 C41 C42 120.9(7) . .
O13 C41 C42 119.9(7) . .
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 . .
O15 C43 O16 120.5(6) . .
O15 C43 C44 120.8(6) . .
O16 C43 C44 118.7(7) . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C1 Cu1 N5 111.6(3) . 1_556
C1 Cu1 N6 110.0(3) . .
N5 Cu1 N6 129.4(2) 1_556 .
C2 Cu2 N1 153.3(3) . 2_556
C2 Cu2 N7 105.1(3) . .
N1 Cu2 N7 101.6(3) 2_556 .
C2 Cu2 Cu4 97.1(2) . 2_566
N1 Cu2 Cu4 69.1(2) 2_556 2_566
N7 Cu2 Cu4 121.3(2) . 2_566
C3 Cu3 N2 144.9(3) . 1_545
C3 Cu3 N8 102.5(3) . .
N2 Cu3 N8 111.9(3) 1_545 .
N9 Cu4 N10 159.5(3) . 2_667
N9 Cu4 C4 97.9(3) . .
N10 Cu4 C4 100.6(3) 2_667 .
N9 Cu4 Cu2 81.0(2) . 2_566
N10 Cu4 Cu2 94.4(2) 2_667 2_566
C4 Cu4 Cu2 128.1(4) . 2_566
N4 Cu5 N4 179.999(3) . 2_677
O5 Dy1 O18 91.43(15) 1_545 1_545
O5 Dy1 O4 101.52(16) 1_545 .
O18 Dy1 O4 137.39(15) 1_545 .
O5 Dy1 O17 139.23(15) 1_545 .
O18 Dy1 O17 104.69(14) 1_545 .
O4 Dy1 O17 91.55(15) . .
O5 Dy1 O2 150.89(15) 1_545 2_656
O18 Dy1 O2 78.59(15) 1_545 2_656
O4 Dy1 O2 70.46(16) . 2_656
O17 Dy1 O2 69.84(14) . 2_656
O5 Dy1 O16 72.70(15) 1_545 1_545
O18 Dy1 O16 69.15(14) 1_545 1_545
O4 Dy1 O16 76.30(15) . 1_545
O17 Dy1 O16 148.02(14) . 1_545
O2 Dy1 O16 78.20(15) 2_656 1_545
O5 Dy1 O13 77.12(15) 1_545 .
O18 Dy1 O13 151.14(15) 1_545 .
O4 Dy1 O13 71.37(16) . .
O17 Dy1 O13 70.79(14) . .
O2 Dy1 O13 123.16(15) 2_656 .
O16 Dy1 O13 129.62(14) 1_545 .
O5 Dy1 O12 70.55(16) 1_545 2_656
O18 Dy1 O12 71.00(14) 1_545 2_656
O4 Dy1 O12 151.54(15) . 2_656
O17 Dy1 O12 79.62(15) . 2_656
O2 Dy1 O12 129.20(16) 2_656 2_656
O16 Dy1 O12 123.92(15) 1_545 2_656
O13 Dy1 O12 80.19(15) . 2_656
O5 Dy1 Dy3 67.77(11) 1_545 1_545
O18 Dy1 Dy3 35.78(10) 1_545 1_545
O4 Dy1 Dy3 114.22(11) . 1_545
O17 Dy1 Dy3 139.82(9) . 1_545
O2 Dy1 Dy3 89.55(11) 2_656 1_545
O16 Dy1 Dy3 37.96(11) 1_545 1_545
O13 Dy1 Dy3 144.88(10) . 1_545
O12 Dy1 Dy3 88.67(10) 2_656 1_545
O9 Dy2 O7 88.35(17) . .
O9 Dy2 O17 149.75(16) . .
O7 Dy2 O17 119.51(16) . .
O9 Dy2 O11 78.25(17) . .
O7 Dy2 O11 135.15(17) . .
O17 Dy2 O11 73.53(15) . .
O9 Dy2 O17 102.71(16) . 2_656
O7 Dy2 O17 71.29(16) . 2_656
O17 Dy2 O17 77.98(14) . 2_656
O11 Dy2 O17 70.39(15) . 2_656
O9 Dy2 O3 82.29(17) . .
O7 Dy2 O3 146.62(17) . .
O17 Dy2 O3 79.72(15) . .
O11 Dy2 O3 74.02(16) . .
O17 Dy2 O3 142.04(15) 2_656 .
O9 Dy2 O13 131.28(16) . .
O7 Dy2 O13 79.04(16) . .
O17 Dy2 O13 70.28(14) . .
O11 Dy2 O13 140.04(15) . .
O17 Dy2 O13 116.72(15) 2_656 .
O3 Dy2 O13 83.32(15) . .
O9 Dy2 O14 78.14(17) . .
O7 Dy2 O14 74.00(18) . .
O17 Dy2 O14 118.64(15) . .
O11 Dy2 O14 141.27(17) . .
O17 Dy2 O14 145.22(16) 2_656 .
O3 Dy2 O14 72.73(17) . .
O13 Dy2 O14 53.14(15) . .
O9 Dy2 Dy2 133.92(13) . 2_656
O7 Dy2 Dy2 96.09(13) . 2_656
O17 Dy2 Dy2 39.39(10) . 2_656
O11 Dy2 Dy2 66.52(12) . 2_656
O17 Dy2 Dy2 38.59(9) 2_656 2_656
O3 Dy2 Dy2 113.43(12) . 2_656
O13 Dy2 Dy2 94.39(10) . 2_656
O14 Dy2 Dy2 146.99(12) . 2_656
O8 Dy3 O10 86.56(17) . .
O8 Dy3 O18 150.94(16) . .
O10 Dy3 O18 119.68(15) . .
O8 Dy3 O6 83.08(16) . .
O10 Dy3 O6 146.35(17) . .
O18 Dy3 O6 80.61(15) . .
O8 Dy3 O1 78.65(17) . .
O10 Dy3 O1 136.38(16) . .
O18 Dy3 O1 73.56(15) . .
O6 Dy3 O1 72.37(16) . .
O8 Dy3 O18 105.32(15) . 2_666
O10 Dy3 O18 69.54(15) . 2_666
O18 Dy3 O18 75.79(15) . 2_666
O6 Dy3 O18 144.11(15) . 2_666
O1 Dy3 O18 75.22(14) . 2_666
O8 Dy3 O15 79.99(17) . .
O10 Dy3 O15 71.89(17) . .
O18 Dy3 O15 118.12(15) . .
O6 Dy3 O15 74.81(17) . .
O1 Dy3 O15 142.55(16) . .
O18 Dy3 O15 140.57(16) 2_666 .
O8 Dy3 O16 133.87(16) . .
O10 Dy3 O16 79.08(16) . .
O18 Dy3 O16 68.42(14) . .
O6 Dy3 O16 85.31(16) . .
O1 Dy3 O16 138.44(14) . .
O18 Dy3 O16 109.97(14) 2_666 .
O15 Dy3 O16 53.89(15) . .
O8 Dy3 Dy3 135.85(13) . 2_666
O10 Dy3 Dy3 95.00(12) . 2_666
O18 Dy3 Dy3 38.32(10) . 2_666
O6 Dy3 Dy3 114.57(12) . 2_666
O1 Dy3 Dy3 70.08(11) . 2_666
O18 Dy3 Dy3 37.47(9) 2_666 2_666
O15 Dy3 Dy3 142.17(12) . 2_666
O16 Dy3 Dy3 89.29(10) . 2_666
O8 Dy3 Dy1 149.18(12) . 1_565
O10 Dy3 Dy1 111.59(12) . 1_565
O18 Dy3 Dy1 35.77(10) . 1_565
O6 Dy3 Dy1 67.95(12) . 1_565
O1 Dy3 Dy1 101.28(11) . 1_565
O18 Dy3 Dy1 104.38(9) 2_666 1_565
O15 Dy3 Dy1 82.37(11) . 1_565
O16 Dy3 Dy1 37.19(10) . 1_565
Dy3 Dy3 Dy1 69.492(10) 2_666 1_565
C1 N1 Cu2 167.1(7) . 2_556
C2 N2 Cu3 168.6(7) . 1_565
C4 N4 Cu5 177.3(9) . .
C9 N5 C5 117.2(6) . .
C9 N5 Cu1 114.2(5) . 1_554
C5 N5 Cu1 128.6(5) . 1_554
C15 N6 C11 117.7(6) . .
C15 N6 Cu1 118.4(5) . .
C11 N6 Cu1 123.9(5) . .
C17 N7 C21 116.8(6) . .
C17 N7 Cu2 122.7(5) . .
C21 N7 Cu2 120.5(5) . .
C27 N8 C23 116.8(6) . .
C27 N8 Cu3 120.9(5) . .
C23 N8 Cu3 121.9(5) . .
C29 N9 C33 115.4(7) . .
C29 N9 Cu4 124.9(6) . .
C33 N9 Cu4 119.6(6) . .
C35 N10 C39 117.3(7) . .
C35 N10 Cu4 115.5(6) . 2_667
C39 N10 Cu4 126.8(6) . 2_667
C10 O1 Dy3 118.5(4) . .
C10 O2 Dy1 138.5(4) . 2_656
C16 O3 Dy2 131.5(4) . .
C16 O4 Dy1 128.7(4) . .
C22 O5 Dy1 127.8(4) . 1_565
C22 O6 Dy3 132.3(4) . .
C28 O7 Dy2 156.9(5) . .
C28 O8 Dy3 158.2(4) . .
C34 O9 Dy2 155.1(5) . .
C34 O10 Dy3 160.4(5) . .
C40 O11 Dy2 124.4(4) . .
C40 O12 Dy1 132.4(4) . 2_656
C41 O13 Dy1 129.9(4) . .
C41 O13 Dy2 93.1(4) . .
Dy1 O13 Dy2 104.42(15) . .
C41 O14 Dy2 94.3(4) . .
C43 O15 Dy3 93.6(4) . .
C43 O16 Dy1 132.8(4) . 1_565
C43 O16 Dy3 91.9(4) . .
Dy1 O16 Dy3 104.85(16) 1_565 .
Dy2 O17 Dy1 107.79(15) . .
Dy2 O17 Dy2 102.03(14) . 2_656
Dy1 O17 Dy2 134.04(19) . 2_656
Dy2 O17 H17A 96.5 . .
Dy1 O17 H17A 99.9 . .
Dy2 O17 H17A 110.7 2_656 .
Dy1 O18 Dy3 108.46(16) 1_565 .
Dy1 O18 Dy3 130.44(18) 1_565 2_666
Dy3 O18 Dy3 104.21(15) . 2_666
Dy1 O18 H18A 100.5 1_565 .
Dy3 O18 H18A 106.4 . .
Dy3 O18 H18A 104.8 2_666 .
H19A O19W H19B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.170(10) .
C1 Cu1 1.953(8) .
C2 N2 1.167(10) .
C2 Cu2 1.873(8) .
C3 N3 1.177(14) 2
C3 C3 1.177(14) 2
C3 Cu3 1.893(7) .
C4 N4 1.111(13) .
C4 Cu4 2.170(9) .
C5 N5 1.348(9) .
C5 C6 1.365(10) .
C5 H5 0.9300 .
C6 C7 1.386(9) .
C6 H6 0.9300 .
C7 C8 1.376(9) .
C7 C10 1.505(9) .
C8 C9 1.365(10) .
C8 H8 0.9300 .
C9 N5 1.335(9) .
C9 H9 0.9300 .
C10 O1 1.250(7) .
C10 O2 1.250(7) .
C11 N6 1.333(9) .
C11 C12 1.396(10) .
C11 H11 0.9300 .
C12 C13 1.375(10) .
C12 H12 0.9300 .
C13 C14 1.382(9) .
C13 C16 1.528(9) .
C14 C15 1.376(10) .
C14 H14 0.9300 .
C15 N6 1.336(9) .
C15 H15 0.9300 .
C16 O4 1.241(8) .
C16 O3 1.257(8) .
C17 N7 1.336(10) .
C17 C18 1.398(10) .
C17 H17 0.9300 .
C18 C19 1.368(10) .
C18 H18 0.9300 .
C19 C20 1.379(10) .
C19 C22 1.515(9) .
C20 C21 1.388(10) .
C20 H20 0.9300 .
C21 N7 1.343(9) .
C21 H21 0.9300 .
C22 O6 1.241(8) .
C22 O5 1.254(8) .
C23 N8 1.322(9) .
C23 C24 1.374(10) .
C23 H23 0.9300 .
C24 C25 1.394(9) .
C24 H24 0.9300 .
C25 C26 1.387(9) .
C25 C28 1.498(9) .
C26 C27 1.370(10) .
C26 H26 0.9300 .
C27 N8 1.338(10) .
C27 H27 0.9300 .
C28 O8 1.253(8) .
C28 O7 1.247(7) .
C29 N9 1.328(11) .
C29 C30 1.371(11) .
C29 H29 0.9300 .
C30 C31 1.387(9) .
C30 H30 0.9300 .
C31 C32 1.377(10) .
C31 C34 1.491(9) .
C32 C33 1.365(10) .
C32 H32 0.9300 .
C33 N9 1.347(10) .
C33 H33 0.9300 .
C34 O10 1.240(7) .
C34 O9 1.253(8) .
C35 N10 1.312(11) .
C35 C36 1.385(11) .
C35 H35 0.9300 .
C36 C37 1.377(10) .
C36 H36 0.9300 .
C37 C38 1.357(10) .
C37 C40 1.510(9) .
C38 C39 1.382(11) .
C38 H38 0.9300 .
C39 N10 1.346(11) .
C39 H39 0.9300 .
C40 O12 1.248(8) .
C40 O11 1.266(8) .
C41 O14 1.237(8) .
C41 O13 1.298(8) .
C41 C42 1.498(10) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 O15 1.249(8) .
C43 O16 1.292(8) .
C43 C44 1.507(10) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
Cu1 N5 1.994(6) 1_556
Cu1 N6 1.997(6) .
Cu2 N1 1.888(7) 2_556
Cu2 N7 2.142(6) .
Cu2 Cu4 2.8815(17) 2_566
Cu3 N2 1.899(7) 1_545
Cu3 N8 2.102(6) .
Cu4 N9 1.940(7) .
Cu4 N10 1.959(6) 2_667
Cu4 Cu2 2.8814(17) 2_566
Cu5 N4 1.946(12) .
Cu5 N4 1.946(12) 2_677
Dy1 O5 2.351(4) 1_545
Dy1 O18 2.362(4) 1_545
Dy1 O4 2.368(4) .
Dy1 O17 2.373(4) .
Dy1 O2 2.388(4) 2_656
Dy1 O16 2.397(4) 1_545
Dy1 O13 2.406(4) .
Dy1 O12 2.435(4) 2_656
Dy1 Dy3 3.8338(5) 1_545
Dy2 O9 2.290(5) .
Dy2 O7 2.298(4) .
Dy2 O17 2.368(4) .
Dy2 O11 2.375(5) .
Dy2 O17 2.409(4) 2_656
Dy2 O3 2.408(4) .
Dy2 O13 2.441(4) .
Dy2 O14 2.449(5) .
Dy2 Dy2 3.7129(6) 2_656
Dy3 O8 2.291(4) .
Dy3 O10 2.316(4) .
Dy3 O18 2.363(4) .
Dy3 O6 2.376(4) .
Dy3 O1 2.391(4) .
Dy3 O18 2.408(4) 2_666
Dy3 O15 2.429(5) .
Dy3 O16 2.440(4) .
Dy3 Dy3 3.7651(6) 2_666
Dy3 Dy1 3.8337(5) 1_565
N1 Cu2 1.888(7) 2_556
N2 Cu3 1.899(7) 1_565
N5 Cu1 1.994(6) 1_554
N10 Cu4 1.959(6) 2_667
O2 Dy1 2.388(4) 2_656
O5 Dy1 2.351(4) 1_565
O12 Dy1 2.435(4) 2_656
O16 Dy1 2.397(4) 1_565
O17 Dy2 2.409(4) 2_656
O17 H17A 0.8203 .
O18 Dy1 2.362(4) 1_565
O18 Dy3 2.408(4) 2_666
O18 H18A 0.8172 .
O19W H19A 0.8500 .
O19W H19B 0.8500 .
