#------------------------------------------------------------------------------
#$Date: 2015-07-11 00:07:12 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143468 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/01/1520135.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_1520135
loop_
_publ_author_name
'Wu, Jianfeng'
'Zhao, Lang'
'Zhang, Peng'
'Zhang, Li'
'Guo, Mei'
'Tang, Jinkui'
_publ_section_title
;
 Linear 3d-4f compounds: synthesis, structure, and determination of the
 d-f magnetic interaction.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11935
_journal_page_last               11942
_journal_paper_doi               10.1039/c5dt01382h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C74 H66 Cu2 N4 O24 Y2'
_chemical_formula_sum            'C74 H66 Cu2 N4 O24 Y2'
_chemical_formula_weight         1700.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-05-06 deposited with the CCDC.
2015-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.75(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.530(12)
_cell_length_b                   16.641(8)
_cell_length_c                   23.044(16)
_cell_measurement_reflns_used    2988
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.79
_cell_measurement_theta_min      2.45
_cell_volume                     7834(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_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  0.1545
_diffrn_reflns_av_unetI/netI     0.1755
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23802
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.197
_diffrn_reflns_theta_min         1.587
_exptl_absorpt_coefficient_mu    2.079
_exptl_absorpt_correction_T_max  0.646
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_description       block
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.030
_refine_diff_density_min         -0.647
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         7733
_refine_ls_number_restraints     298
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.2204
_refine_ls_R_factor_gt           0.0899
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1674P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2499
_refine_ls_wR_factor_ref         0.3214
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3115
_reflns_number_total             7733
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01382h2.cif
_cod_data_source_block           Y2Cu2
_cod_depositor_comments
'Adding full bibliography for 1520123--1520137.cif.'
_cod_database_code               1520135
_audit_block_doi                 10.5517/cc14htl1
_shelx_shelxl_version_number     2014/7
_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'
'-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'
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
C1 C 0.1463(6) 0.2284(9) 0.0455(7) 0.122(6) Uani 1 1 d . U
H1A H 0.1390 0.2831 0.0533 0.183 Uiso 1 1 calc DR U
H1B H 0.1175 0.1937 0.0522 0.183 Uiso 1 1 calc R U
H1C H 0.1378 0.2229 0.0004 0.183 Uiso 1 1 calc R U
C2 C 0.2598(3) 0.2561(5) 0.0933(4) 0.070(3) Uani 1 1 d G U
C3 C 0.2477(4) 0.3235(5) 0.0531(4) 0.097(4) Uani 1 1 d G U
H3 H 0.2050 0.3380 0.0225 0.117 Uiso 1 1 calc DR U
C4 C 0.2997(5) 0.3693(4) 0.0588(4) 0.110(5) Uani 1 1 d G U
H4 H 0.2916 0.4144 0.0320 0.132 Uiso 1 1 calc R U
C5 C 0.3637(4) 0.3477(5) 0.1046(5) 0.105(5) Uani 1 1 d G U
H5 H 0.3984 0.3783 0.1085 0.126 Uiso 1 1 calc R U
C6 C 0.3757(3) 0.2803(5) 0.1448(4) 0.067(3) Uani 1 1 d G U
C7 C 0.3237(4) 0.2345(4) 0.1391(3) 0.059(3) Uani 1 1 d G U
C8 C 0.4440(6) 0.2606(7) 0.1918(6) 0.068(3) Uani 1 1 d . U
H8 H 0.4750 0.2984 0.1959 0.082 Uiso 1 1 calc R U
C9 C 0.2150(6) -0.0279(9) 0.2838(8) 0.106(5) Uani 1 1 d . U
H9A H 0.2153 -0.0855 0.2858 0.159 Uiso 1 1 calc DR U
H9B H 0.1728 -0.0098 0.2495 0.159 Uiso 1 1 calc R U
H9C H 0.2238 -0.0062 0.3261 0.159 Uiso 1 1 calc R U
C10 C 0.3259(3) -0.0303(5) 0.3078(4) 0.075(3) Uani 1 1 d G U
C11 C 0.3436(4) -0.0808(6) 0.3622(5) 0.115(5) Uani 1 1 d G U
H11 H 0.3133 -0.0937 0.3754 0.138 Uiso 1 1 calc DR U
C12 C 0.4066(5) -0.1122(6) 0.3967(4) 0.147(7) Uani 1 1 d G U
H12 H 0.4184 -0.1460 0.4330 0.176 Uiso 1 1 calc R U
C13 C 0.4519(4) -0.0930(6) 0.3768(5) 0.118(5) Uani 1 1 d G U
H13 H 0.4941 -0.1139 0.3999 0.142 Uiso 1 1 calc R U
C14 C 0.4342(3) -0.0424(5) 0.3225(4) 0.069(3) Uani 1 1 d G U
C15 C 0.3712(3) -0.0111(4) 0.2880(3) 0.059(3) Uani 1 1 d G U
C16 C 0.4806(5) -0.0299(6) 0.3013(6) 0.064(3) Uani 1 1 d . U
H16 H 0.5175 -0.0626 0.3192 0.077 Uiso 1 1 calc R U
C17 C 0.1524(7) -0.0227(10) 0.0731(8) 0.082(4) Uani 1 1 d . U
C18 C 0.1044(4) -0.0787(6) 0.0208(4) 0.079(4) Uani 1 1 d G U
C19 C 0.1182(4) -0.1603(6) 0.0238(5) 0.115(5) Uani 1 1 d G U
H19 H 0.1577 -0.1801 0.0579 0.138 Uiso 1 1 calc R U
C20 C 0.0730(6) -0.2122(5) -0.0241(6) 0.131(6) Uani 1 1 d G U
H20 H 0.0822 -0.2668 -0.0221 0.157 Uiso 1 1 calc R U
C21 C 0.0140(5) -0.1826(7) -0.0750(5) 0.139(6) Uani 1 1 d G U
H21 H -0.0163 -0.2173 -0.1071 0.167 Uiso 1 1 calc R U
C22 C 0.0002(4) -0.1009(7) -0.0781(5) 0.115(5) Uani 1 1 d G U
H22 H -0.0393 -0.0811 -0.1121 0.138 Uiso 1 1 calc R U
C23 C 0.0454(5) -0.0490(5) -0.0302(5) 0.120(6) Uani 1 1 d G U
H23 H 0.0362 0.0056 -0.0322 0.144 Uiso 1 1 calc R U
C24 C 0.1966(7) 0.1711(9) 0.2266(6) 0.079(4) Uani 1 1 d . U
C25 C 0.1705(4) 0.2208(6) 0.2642(4) 0.079(4) Uani 1 1 d G U
C26 C 0.1152(4) 0.1925(5) 0.2648(4) 0.104(5) Uani 1 1 d G U
H26 H 0.0939 0.1468 0.2405 0.125 Uiso 1 1 calc R U
C27 C 0.0918(4) 0.2325(7) 0.3016(5) 0.114(5) Uani 1 1 d G U
H27 H 0.0547 0.2135 0.3019 0.137 Uiso 1 1 calc R U
C28 C 0.1236(5) 0.3008(6) 0.3379(5) 0.116(5) Uani 1 1 d G U
H28 H 0.1079 0.3275 0.3625 0.139 Uiso 1 1 calc R U
C29 C 0.1789(5) 0.3291(5) 0.3374(4) 0.102(5) Uani 1 1 d G U
H29 H 0.2003 0.3748 0.3617 0.122 Uiso 1 1 calc R U
C30 C 0.2024(4) 0.2891(6) 0.3006(5) 0.084(4) Uani 1 1 d G U
H30 H 0.2394 0.3081 0.3002 0.101 Uiso 1 1 calc R U
C31 C 0.3315(5) 0.0242(7) 0.0838(5) 0.051(3) Uani 1 1 d . U
C32 C 0.3225(4) -0.0302(5) 0.0277(3) 0.061(3) Uani 1 1 d G U
C33 C 0.2679(4) -0.0794(5) -0.0055(4) 0.074(4) Uani 1 1 d G U
H33 H 0.2360 -0.0796 0.0071 0.089 Uiso 1 1 calc R U
C34 C 0.2610(4) -0.1282(5) -0.0575(4) 0.108(5) Uani 1 1 d G U
H34 H 0.2245 -0.1612 -0.0798 0.130 Uiso 1 1 calc R U
C35 C 0.3087(5) -0.1279(5) -0.0764(4) 0.111(5) Uani 1 1 d G U
H35 H 0.3041 -0.1606 -0.1112 0.133 Uiso 1 1 calc R U
C36 C 0.3633(5) -0.0787(6) -0.0431(5) 0.118(5) Uani 1 1 d G U
H36 H 0.3953 -0.0784 -0.0557 0.141 Uiso 1 1 calc R U
C37 C 0.3703(3) -0.0298(5) 0.0089(4) 0.085(4) Uani 1 1 d G U
H37 H 0.4068 0.0031 0.0311 0.102 Uiso 1 1 calc R U
Cu1 Cu 0.40769(5) 0.10452(7) 0.21652(6) 0.0492(4) Uani 1 1 d . .
N1 N 0.4749(3) 0.0243(5) 0.2586(4) 0.047(2) Uani 1 1 d . .
N2 N 0.4665(4) 0.1968(5) 0.2284(4) 0.047(2) Uani 1 1 d . .
O1 O 0.2134(3) 0.2066(5) 0.0913(4) 0.078(3) Uani 1 1 d . U
O2 O 0.3323(3) 0.1723(4) 0.1777(3) 0.0582(19) Uani 1 1 d . U
O3 O 0.2648(3) -0.0009(5) 0.2687(4) 0.080(3) Uani 1 1 d . U
O4 O 0.3510(3) 0.0377(4) 0.2374(3) 0.0535(18) Uani 1 1 d . U
O5 O 0.1954(4) -0.0485(6) 0.1298(4) 0.089(3) Uani 1 1 d . U
O6 O 0.1499(4) 0.0507(6) 0.0603(4) 0.085(3) Uani 1 1 d . U
O7 O 0.1614(4) 0.1192(6) 0.1836(4) 0.094(3) Uani 1 1 d . U
O8 O 0.2543(4) 0.1846(6) 0.2395(4) 0.083(3) Uani 1 1 d . U
O9 O 0.2818(3) 0.0312(5) 0.0915(3) 0.067(2) Uani 1 1 d . U
O10 O 0.3849(3) 0.0563(5) 0.1193(3) 0.060(2) Uani 1 1 d . U
Y1 Y 0.24608(5) 0.08266(8) 0.16136(5) 0.0639(4) Uani 1 1 d . .
O11 O 0.4854(13) 0.1663(15) 0.3939(13) 0.359(14) Uani 1 1 d D U
O12 O 0.3867(12) 0.2864(14) 0.3268(11) 0.320(12) Uani 1 1 d 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'
Cu Cu 0.3201 1.2651 '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'
Y Y -2.7962 3.5667 '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
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 125.2(6) . .
O1 C2 C7 114.8(6) . .
C3 C2 C7 120.0 . .
C2 C3 C4 120.0 . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 120.0 . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C7 C6 C5 120.0 . .
C7 C6 C8 122.6(7) . .
C5 C6 C8 117.4(7) . .
O2 C7 C6 122.4(6) . .
O2 C7 C2 117.5(6) . .
C6 C7 C2 120.0 . .
N2 C8 C6 127.6(10) . .
N2 C8 H8 116.2 . .
C6 C8 H8 116.2 . .
O3 C9 H9A 109.5 . .
O3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O3 C10 C11 124.2(6) . .
O3 C10 C15 115.7(6) . .
C11 C10 C15 120.0 . .
C12 C11 C10 120.0 . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 120.0 . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C13 C14 C15 120.0 . .
C13 C14 C16 117.6(7) . .
C15 C14 C16 122.3(7) . .
O4 C15 C14 124.0(6) . .
O4 C15 C10 116.0(6) . .
C14 C15 C10 120.0 . .
N1 C16 C14 124.0(10) . .
N1 C16 H16 118.0 . .
C14 C16 H16 118.0 . .
O6 C17 O5 119.6(14) . .
O6 C17 C18 119.3(13) . .
O5 C17 C18 121.2(14) . .
O6 C17 Y1 58.7(7) . .
O5 C17 Y1 61.2(8) . .
C18 C17 Y1 174.4(9) . .
C19 C18 C23 120.0 . .
C19 C18 C17 120.2(10) . .
C23 C18 C17 119.8(10) . .
C20 C19 C18 120.0 . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.0 . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C18 120.0 . .
C22 C23 H23 120.0 . .
C18 C23 H23 120.0 . .
O8 C24 O7 121.1(11) . .
O8 C24 C25 117.3(12) . .
O7 C24 C25 121.6(11) . .
O8 C24 Y1 61.5(6) . .
O7 C24 Y1 59.6(6) . .
C25 C24 Y1 178.7(9) . .
C26 C25 C30 120.0 . .
C26 C25 C24 117.5(9) . .
C30 C25 C24 122.4(9) . .
C27 C26 C25 120.0 . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C26 C27 C28 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C29 C28 C27 120.0 . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
O10 C31 O9 125.0(10) . .
O10 C31 C32 119.6(9) . .
O9 C31 C32 115.4(9) . .
C33 C32 C37 120.0 . .
C33 C32 C31 121.6(7) . .
C37 C32 C31 118.4(7) . .
C34 C33 C32 120.0 . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 120.0 . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C36 C35 C34 120.0 . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C36 C37 C32 120.0 . .
C36 C37 H37 120.0 . .
C32 C37 H37 120.0 . .
O2 Cu1 N1 170.5(3) . .
O2 Cu1 O4 82.1(3) . .
N1 Cu1 O4 88.4(3) . .
O2 Cu1 N2 91.7(3) . .
N1 Cu1 N2 97.2(3) . .
O4 Cu1 N2 155.4(3) . .
O2 Cu1 O10 92.2(3) . .
N1 Cu1 O10 89.1(3) . .
O4 Cu1 O10 101.1(3) . .
N2 Cu1 O10 103.0(3) . .
O2 Cu1 Y1 43.6(2) . .
N1 Cu1 Y1 127.2(2) . .
O4 Cu1 Y1 42.18(19) . .
N2 Cu1 Y1 135.2(2) . .
O10 Cu1 Y1 85.23(19) . .
C16 N1 N1 115.2(8) . 2_655
C16 N1 Cu1 128.2(7) . .
N1 N1 Cu1 116.7(5) 2_655 .
C8 N2 N2 114.8(7) . 2_655
C8 N2 Cu1 120.8(7) . .
N2 N2 Cu1 124.3(4) 2_655 .
C2 O1 C1 116.2(10) . .
C2 O1 Y1 119.9(5) . .
C1 O1 Y1 123.8(9) . .
C7 O2 Cu1 125.2(5) . .
C7 O2 Y1 123.5(5) . .
Cu1 O2 Y1 103.0(3) . .
C10 O3 C9 116.6(9) . .
C10 O3 Y1 115.8(5) . .
C9 O3 Y1 126.9(7) . .
C15 O4 Cu1 125.4(5) . .
C15 O4 Y1 130.9(5) . .
Cu1 O4 Y1 103.2(3) . .
C17 O5 Y1 91.6(9) . .
C17 O6 Y1 94.5(9) . .
C24 O7 Y1 92.9(7) . .
C24 O8 Y1 91.2(8) . .
C31 O9 Y1 143.7(7) . .
C31 O10 Cu1 119.5(6) . .
O9 Y1 O4 77.9(2) . .
O9 Y1 O6 74.5(3) . .
O4 Y1 O6 143.8(3) . .
O9 Y1 O7 151.5(3) . .
O4 Y1 O7 127.6(3) . .
O6 Y1 O7 76.9(3) . .
O9 Y1 O2 76.6(3) . .
O4 Y1 O2 65.3(2) . .
O6 Y1 O2 128.2(3) . .
O7 Y1 O2 123.0(3) . .
O9 Y1 O8 148.9(3) . .
O4 Y1 O8 90.1(3) . .
O6 Y1 O8 125.2(3) . .
O7 Y1 O8 54.7(3) . .
O2 Y1 O8 72.3(3) . .
O9 Y1 O5 75.6(3) . .
O4 Y1 O5 96.7(3) . .
O6 Y1 O5 54.1(3) . .
O7 Y1 O5 87.4(3) . .
O2 Y1 O5 149.6(3) . .
O8 Y1 O5 134.8(3) . .
O9 Y1 O1 87.6(3) . .
O4 Y1 O1 128.6(3) . .
O6 Y1 O1 73.3(3) . .
O7 Y1 O1 84.6(3) . .
O2 Y1 O1 63.3(2) . .
O8 Y1 O1 77.6(3) . .
O5 Y1 O1 127.1(3) . .
O9 Y1 O3 120.0(3) . .
O4 Y1 O3 60.8(2) . .
O6 Y1 O3 115.5(3) . .
O7 Y1 O3 72.8(3) . .
O2 Y1 O3 116.1(2) . .
O8 Y1 O3 76.1(3) . .
O5 Y1 O3 68.9(3) . .
O1 Y1 O3 152.1(3) . .
O9 Y1 C24 167.9(3) . .
O4 Y1 C24 109.8(3) . .
O6 Y1 C24 101.6(4) . .
O7 Y1 C24 27.4(3) . .
O2 Y1 C24 97.9(4) . .
O8 Y1 C24 27.3(3) . .
O5 Y1 C24 111.7(4) . .
O1 Y1 C24 80.4(3) . .
O3 Y1 C24 72.0(3) . .
O9 Y1 C17 71.7(3) . .
O4 Y1 C17 120.7(4) . .
O6 Y1 C17 26.8(3) . .
O7 Y1 C17 82.7(4) . .
O2 Y1 C17 144.7(3) . .
O8 Y1 C17 137.4(3) . .
O5 Y1 C17 27.3(4) . .
O1 Y1 C17 99.9(4) . .
O3 Y1 C17 93.2(4) . .
C24 Y1 C17 110.1(4) . .
O9 Y1 Cu1 64.69(18) . .
O4 Y1 Cu1 34.62(17) . .
O6 Y1 Cu1 138.0(2) . .
O7 Y1 Cu1 143.3(2) . .
O2 Y1 Cu1 33.42(16) . .
O8 Y1 Cu1 89.15(19) . .
O5 Y1 Cu1 120.3(2) . .
O1 Y1 Cu1 94.74(18) . .
O3 Y1 Cu1 94.02(15) . .
C24 Y1 Cu1 116.2(3) . .
C17 Y1 Cu1 133.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.443(13) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 O1 1.351(11) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 C4 1.3900 .
C3 H3 0.9300 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 C7 1.3900 .
C6 C8 1.462(13) .
C7 O2 1.315(9) .
C8 N2 1.295(13) .
C8 H8 0.9300 .
C9 O3 1.448(13) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 O3 1.354(9) .
C10 C11 1.3900 .
C10 C15 1.3900 .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 C15 1.3900 .
C14 C16 1.416(12) .
C15 O4 1.301(8) .
C16 N1 1.290(12) .
C16 H16 0.9300 .
C17 O6 1.251(15) .
C17 O5 1.266(16) .
C17 C18 1.498(16) .
C17 Y1 2.761(15) .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C19 H19 0.9300 .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 C22 1.3900 .
C21 H21 0.9300 .
C22 C23 1.3900 .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 O8 1.258(14) .
C24 O7 1.265(15) .
C24 C25 1.530(13) .
C24 Y1 2.742(12) .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 C29 1.3900 .
C28 H28 0.9300 .
C29 C30 1.3900 .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 O10 1.231(11) .
C31 O9 1.272(11) .
C31 C32 1.504(12) .
C32 C33 1.3900 .
C32 C37 1.3900 .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 C35 1.3900 .
C34 H34 0.9300 .
C35 C36 1.3900 .
C35 H35 0.9300 .
C36 C37 1.3900 .
C36 H36 0.9300 .
C37 H37 0.9300 .
Cu1 O2 1.909(7) .
Cu1 N1 1.924(8) .
Cu1 O4 1.971(7) .
Cu1 N2 1.993(8) .
Cu1 O10 2.180(7) .
Cu1 Y1 3.378(2) .
N1 N1 1.420(15) 2_655
N2 N2 1.387(14) 2_655
O1 Y1 2.493(9) .
O2 Y1 2.391(7) .
O3 Y1 2.678(8) .
O4 Y1 2.330(6) .
O5 Y1 2.419(10) .
O6 Y1 2.366(7) .
O7 Y1 2.369(8) .
O8 Y1 2.410(8) .
O9 Y1 2.318(7) .
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_4
O1 C2 C3 C4 -178.8(8) .
C7 C2 C3 C4 0.0 .
C2 C3 C4 C5 0.0 .
C3 C4 C5 C6 0.0 .
C4 C5 C6 C7 0.0 .
C4 C5 C6 C8 179.8(8) .
C5 C6 C7 O2 -177.1(8) .
C8 C6 C7 O2 3.1(10) .
C5 C6 C7 C2 0.0 .
C8 C6 C7 C2 -179.8(9) .
O1 C2 C7 O2 -3.8(8) .
C3 C2 C7 O2 177.2(7) .
O1 C2 C7 C6 178.9(8) .
C3 C2 C7 C6 0.0 .
C7 C6 C8 N2 7.8(15) .
C5 C6 C8 N2 -172.1(9) .
O3 C10 C11 C12 175.8(10) .
C15 C10 C11 C12 0.0 .
C10 C11 C12 C13 0.0 .
C11 C12 C13 C14 0.0 .
C12 C13 C14 C15 0.0 .
C12 C13 C14 C16 -175.2(9) .
C13 C14 C15 O4 178.7(9) .
C16 C14 C15 O4 -6.3(11) .
C13 C14 C15 C10 0.0 .
C16 C14 C15 C10 175.0(10) .
O3 C10 C15 O4 5.0(9) .
C11 C10 C15 O4 -178.8(8) .
O3 C10 C15 C14 -176.1(9) .
C11 C10 C15 C14 0.0 .
C13 C14 C16 N1 -169.1(9) .
C15 C14 C16 N1 15.8(15) .
O6 C17 C18 C19 158.8(10) .
O5 C17 C18 C19 -21.2(16) .
O6 C17 C18 C23 -22.4(15) .
O5 C17 C18 C23 157.6(10) .
C23 C18 C19 C20 0.0 .
C17 C18 C19 C20 178.8(10) .
C18 C19 C20 C21 0.0 .
C19 C20 C21 C22 0.0 .
C20 C21 C22 C23 0.0 .
C21 C22 C23 C18 0.0 .
C19 C18 C23 C22 0.0 .
C17 C18 C23 C22 -178.8(10) .
O8 C24 C25 C26 -162.7(9) .
O7 C24 C25 C26 18.2(15) .
O8 C24 C25 C30 13.2(14) .
O7 C24 C25 C30 -165.9(10) .
C30 C25 C26 C27 0.0 .
C24 C25 C26 C27 176.0(8) .
C25 C26 C27 C28 0.0 .
C26 C27 C28 C29 0.0 .
C27 C28 C29 C30 0.0 .
C28 C29 C30 C25 0.0 .
C26 C25 C30 C29 0.0 .
C24 C25 C30 C29 -175.8(9) .
O10 C31 C32 C33 167.6(8) .
O9 C31 C32 C33 -10.3(12) .
O10 C31 C32 C37 -13.1(12) .
O9 C31 C32 C37 169.0(8) .
C37 C32 C33 C34 0.0 .
C31 C32 C33 C34 179.3(8) .
C32 C33 C34 C35 0.0 .
C33 C34 C35 C36 0.0 .
C34 C35 C36 C37 0.0 .
C35 C36 C37 C32 0.0 .
C33 C32 C37 C36 0.0 .
C31 C32 C37 C36 -179.3(8) .
C14 C16 N1 N1 -176.9(10) 2_655
C14 C16 N1 Cu1 3.7(16) .
C6 C8 N2 N2 -176.1(10) 2_655
C6 C8 N2 Cu1 8.0(15) .
C3 C2 O1 C1 -2.6(12) .
C7 C2 O1 C1 178.5(8) .
C3 C2 O1 Y1 175.1(4) .
C7 C2 O1 Y1 -3.8(8) .
C6 C7 O2 Cu1 -29.7(9) .
C2 C7 O2 Cu1 153.2(5) .
C6 C7 O2 Y1 -172.4(4) .
C2 C7 O2 Y1 10.4(8) .
C11 C10 O3 C9 -3.0(13) .
C15 C10 O3 C9 172.9(9) .
C11 C10 O3 Y1 -174.1(5) .
C15 C10 O3 Y1 1.8(9) .
C14 C15 O4 Cu1 -20.9(10) .
C10 C15 O4 Cu1 157.9(5) .
C14 C15 O4 Y1 169.2(5) .
C10 C15 O4 Y1 -12.1(10) .
O6 C17 O5 Y1 -5.9(13) .
C18 C17 O5 Y1 174.1(10) .
O5 C17 O6 Y1 6.1(13) .
C18 C17 O6 Y1 -173.9(10) .
O8 C24 O7 Y1 1.5(13) .
C25 C24 O7 Y1 -179.4(10) .
O7 C24 O8 Y1 -1.5(13) .
C25 C24 O8 Y1 179.4(9) .
O10 C31 O9 Y1 -6(2) .
C32 C31 O9 Y1 171.4(8) .
O9 C31 O10 Cu1 16.1(14) .
C32 C31 O10 Cu1 -161.7(6) .
