#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:45:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180517 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/86/7218661.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_7218661
loop_
_publ_author_name
'Hsu, Wayne'
'Chen, Kuan-Ting'
'Li, Yu-Sian'
'Cheng, Po-Wen'
'Chen, Tsun-Ren'
'Chen, Jhy-Der'
_publ_section_title
;
 Crystal-to-crystal transformations and photoluminescence changes in the
 Cu(i) coordination networks based on a formamidinate ligand
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              10640
_journal_paper_doi               10.1039/C4CE01791A
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C52 H52 Cu4 N16 O2'
_chemical_formula_weight         1187.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 99.4950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.0123(5)
_cell_length_b                   21.4061(5)
_cell_length_c                   22.6642(5)
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.63
_cell_volume                     10054.5(4)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            42360
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.729
_exptl_absorpt_correction_T_max  0.6718
_exptl_absorpt_correction_T_min  0.5447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             4864
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.466
_refine_diff_density_min         -1.225
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         9872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0772P)²+70.7563P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1527
_refine_ls_wR_factor_ref         0.1706
_reflns_number_gt                6876
_reflns_number_total             9872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01791a2.cif
_cod_data_source_block           2c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7218661
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.11445(3) 0.19060(3) 0.78724(3) 0.01689(17) Uani 1 1 d . . .
Cu2 Cu 0.10387(3) 0.08905(3) 0.73168(3) 0.01835(18) Uani 1 1 d . . .
Cu3 Cu 0.54363(3) 0.02167(3) 0.71713(3) 0.01845(18) Uani 1 1 d . . .
Cu4 Cu 0.44320(3) 0.25245(3) 0.72297(3) 0.01576(17) Uani 1 1 d . . .
N1 N 0.0979(2) 0.2409(2) 1.0176(2) 0.0266(12) Uani 1 1 d . . .
N2 N 0.1013(2) 0.1403(2) 0.85686(18) 0.0171(10) Uani 1 1 d . . .
N3 N 0.0936(2) 0.04716(19) 0.80508(18) 0.0156(9) Uani 1 1 d . . .
N4 N 0.0751(2) -0.1494(2) 0.79263(19) 0.0177(10) Uani 1 1 d . . .
N5 N 0.0570(2) 0.4265(2) 0.70703(19) 0.0184(10) Uani 1 1 d . . .
N6 N 0.0784(2) 0.23001(19) 0.70983(19) 0.0158(9) Uani 1 1 d . . .
N7 N 0.0755(2) 0.1361(2) 0.65924(19) 0.0175(10) Uani 1 1 d . . .
N8 N 0.0866(3) 0.0348(3) 0.5016(2) 0.0424(15) Uani 1 1 d . . .
N9 N 0.2028(2) 0.0767(2) 0.7243(2) 0.0246(11) Uani 1 1 d . . .
N10 N 0.3989(2) 0.0502(2) 0.7107(2) 0.0177(10) Uani 1 1 d . . .
N11 N 0.4792(2) 0.05266(19) 0.65233(19) 0.0177(10) Uani 1 1 d . . .
N12 N 0.5326(2) 0.0885(2) 0.4834(2) 0.0256(11) Uani 1 1 d . . .
N13 N 0.2153(2) 0.2152(2) 0.7991(2) 0.0195(10) Uani 1 1 d . . .
N14 N 0.4158(2) 0.23466(19) 0.79940(19) 0.0148(9) Uani 1 1 d . . .
N15 N 0.5213(2) 0.23098(19) 0.84860(19) 0.0150(9) Uani 1 1 d . . .
N16 N 0.6594(2) 0.2159(2) 1.0076(2) 0.0258(11) Uani 1 1 d . . .
C1 C 0.1206(3) 0.2638(3) 0.9707(3) 0.0308(15) Uani 1 1 d . . .
H1A H 0.1364 0.3045 0.9736 0.037 Uiso 1 1 calc R . .
C2 C 0.1226(3) 0.2320(3) 0.9184(3) 0.0262(13) Uani 1 1 d . . .
H2A H 0.1389 0.2513 0.8873 0.031 Uiso 1 1 calc R . .
C3 C 0.1002(3) 0.1710(2) 0.9120(2) 0.0178(11) Uani 1 1 d . . .
C4 C 0.0747(3) 0.1472(3) 0.9598(2) 0.0288(14) Uani 1 1 d . . .
H4A H 0.0571 0.1072 0.9577 0.035 Uiso 1 1 calc R . .
C5 C 0.0752(3) 0.1827(3) 1.0105(3) 0.0352(16) Uani 1 1 d . . .
H5A H 0.0585 0.1649 1.0421 0.042 Uiso 1 1 calc R . .
C6 C 0.0947(2) 0.0790(2) 0.8551(2) 0.0161(11) Uani 1 1 d . . .
H6A H 0.0908 0.0576 0.8901 0.019 Uiso 1 1 calc R . .
C7 C 0.0919(3) -0.1135(2) 0.7493(2) 0.0188(12) Uani 1 1 d . . .
H7A H 0.0996 -0.1329 0.7145 0.023 Uiso 1 1 calc R . .
C8 C 0.0984(3) -0.0497(2) 0.7530(2) 0.0196(12) Uani 1 1 d . . .
H8A H 0.1102 -0.0275 0.7212 0.024 Uiso 1 1 calc R . .
C9 C 0.0871(2) -0.0177(2) 0.8046(2) 0.0152(11) Uani 1 1 d . . .
C10 C 0.0703(3) -0.0552(2) 0.8498(2) 0.0193(12) Uani 1 1 d . . .
H10A H 0.0636 -0.0373 0.8857 0.023 Uiso 1 1 calc R . .
C11 C 0.0636(3) -0.1190(2) 0.8412(2) 0.0208(12) Uani 1 1 d . . .
H11A H 0.0501 -0.1424 0.8715 0.025 Uiso 1 1 calc R . .
C12 C 0.0925(3) 0.3951(2) 0.7523(2) 0.0197(12) Uani 1 1 d . . .
H12A H 0.1138 0.4181 0.7844 0.024 Uiso 1 1 calc R . .
C13 C 0.0993(3) 0.3314(2) 0.7543(2) 0.0190(12) Uani 1 1 d . . .
H13A H 0.1243 0.3124 0.7871 0.023 Uiso 1 1 calc R . .
C14 C 0.0685(3) 0.2948(2) 0.7067(2) 0.0172(11) Uani 1 1 d . . .
C15 C 0.0300(3) 0.3269(2) 0.6603(2) 0.0194(12) Uani 1 1 d . . .
H15A H 0.0072 0.3050 0.6282 0.023 Uiso 1 1 calc R . .
C16 C 0.0259(3) 0.3916(3) 0.6624(2) 0.0199(12) Uani 1 1 d . . .
H16A H 0.0000 0.4119 0.6310 0.024 Uiso 1 1 calc R . .
C17 C 0.0688(3) 0.1974(2) 0.6599(2) 0.0180(12) Uani 1 1 d . . .
H17A H 0.0569 0.2183 0.6238 0.022 Uiso 1 1 calc R . .
C22 C 0.1023(4) 0.0945(3) 0.5072(3) 0.0387(17) Uani 1 1 d . . .
H22A H 0.1170 0.1132 0.4749 0.046 Uiso 1 1 calc R . .
C21 C 0.0991(3) 0.1317(3) 0.5560(2) 0.0290(14) Uani 1 1 d . . .
H21A H 0.1114 0.1734 0.5563 0.035 Uiso 1 1 calc R . .
C20 C 0.0769(3) 0.1052(3) 0.6054(2) 0.0221(12) Uani 1 1 d . . .
C19 C 0.0609(3) 0.0419(3) 0.6005(2) 0.0250(13) Uani 1 1 d . . .
H19A H 0.0468 0.0215 0.6322 0.030 Uiso 1 1 calc R . .
C18 C 0.0660(3) 0.0100(3) 0.5498(3) 0.0346(16) Uani 1 1 d . . .
H18A H 0.0543 -0.0319 0.5481 0.042 Uiso 1 1 calc R . .
C34 C 0.2585(3) 0.1935(2) 0.8441(2) 0.0200(12) Uani 1 1 d . . .
H34A H 0.2427 0.1735 0.8751 0.024 Uiso 1 1 calc R . .
C35 C 0.3248(3) 0.1984(2) 0.8486(2) 0.0194(12) Uani 1 1 d . . .
H35A H 0.3520 0.1823 0.8816 0.023 Uiso 1 1 calc R . .
C36 C 0.3502(3) 0.2282(2) 0.8022(2) 0.0166(11) Uani 1 1 d . . .
C37 C 0.3049(3) 0.2520(3) 0.7558(2) 0.0207(12) Uani 1 1 d . . .
H37A H 0.3189 0.2733 0.7245 0.025 Uiso 1 1 calc R . .
C38 C 0.2400(3) 0.2444(3) 0.7555(2) 0.0222(13) Uani 1 1 d . . .
H38A H 0.2115 0.2605 0.7233 0.027 Uiso 1 1 calc R . .
C39 C 0.4582(2) 0.2275(2) 0.8486(2) 0.0139(11) Uani 1 1 d . . .
H39A H 0.4436 0.2199 0.8845 0.017 Uiso 1 1 calc R . .
C44 C 0.6748(3) 0.2276(3) 0.9535(3) 0.0311(15) Uani 1 1 d . . .
H44A H 0.7180 0.2329 0.9506 0.037 Uiso 1 1 calc R . .
C43 C 0.6297(3) 0.2322(3) 0.9020(3) 0.0261(13) Uani 1 1 d . . .
H43A H 0.6434 0.2401 0.8658 0.031 Uiso 1 1 calc R . .
C42 C 0.5643(3) 0.2252(2) 0.9033(2) 0.0166(11) Uani 1 1 d . . .
C41 C 0.5487(3) 0.2130(2) 0.9592(2) 0.0205(12) Uani 1 1 d . . .
H41A H 0.5058 0.2078 0.9638 0.025 Uiso 1 1 calc R . .
C40 C 0.5967(3) 0.2088(2) 1.0078(2) 0.0202(12) Uani 1 1 d . . .
H40A H 0.5842 0.2001 1.0444 0.024 Uiso 1 1 calc R . .
C27 C 0.2437(3) 0.0421(3) 0.7629(2) 0.0236(13) Uani 1 1 d . . .
H27A H 0.2273 0.0224 0.7937 0.028 Uiso 1 1 calc R . .
C26 C 0.3073(3) 0.0339(3) 0.7599(2) 0.0216(12) Uani 1 1 d . . .
H26A H 0.3330 0.0099 0.7887 0.026 Uiso 1 1 calc R . .
C25 C 0.3341(3) 0.0615(2) 0.7139(2) 0.0188(12) Uani 1 1 d . . .
C24 C 0.2929(3) 0.1001(3) 0.6757(3) 0.0301(14) Uani 1 1 d . . .
H24A H 0.3085 0.1221 0.6457 0.036 Uiso 1 1 calc R . .
C23 C 0.2292(3) 0.1058(3) 0.6823(3) 0.0298(14) Uani 1 1 d . . .
H23A H 0.2028 0.1315 0.6556 0.036 Uiso 1 1 calc R . .
C28 C 0.4189(3) 0.0622(2) 0.6596(2) 0.0184(12) Uani 1 1 d . . .
H28A H 0.3897 0.0778 0.6277 0.022 Uiso 1 1 calc R . .
C29 C 0.5740(3) 0.0904(2) 0.5351(3) 0.0255(13) Uani 1 1 d . . .
H29A H 0.6168 0.1006 0.5336 0.031 Uiso 1 1 calc R . .
C30 C 0.5577(3) 0.0785(2) 0.5900(2) 0.0197(12) Uani 1 1 d . . .
H30A H 0.5890 0.0805 0.6242 0.024 Uiso 1 1 calc R . .
C31 C 0.4945(3) 0.0634(2) 0.5950(2) 0.0174(12) Uani 1 1 d . . .
C32 C 0.4517(3) 0.0587(2) 0.5417(2) 0.0218(12) Uani 1 1 d . . .
H32A H 0.4092 0.0465 0.5418 0.026 Uiso 1 1 calc R . .
C33 C 0.4725(2) 0.07224(18) 0.48798(17) 0.0250(13) Uani 1 1 d . . .
H33A H 0.4425 0.0698 0.4530 0.030 Uiso 1 1 calc R . .
O1 O 0.3262(2) -0.04882(18) 0.88264(17) 0.1125(17) Uiso 1 1 d R . .
C45 C 0.2966(2) -0.10578(18) 0.86074(17) 0.1125(17) Uiso 1 1 d R . .
H45A H 0.3280 -0.1394 0.8664 0.135 Uiso 1 1 calc R . .
H45B H 0.2800 -0.1022 0.8183 0.135 Uiso 1 1 calc R . .
C46 C 0.2456(2) -0.11851(18) 0.89292(17) 0.1125(17) Uiso 1 1 d R . .
H46A H 0.2529 -0.1581 0.9137 0.135 Uiso 1 1 calc R . .
H46B H 0.2049 -0.1209 0.8656 0.135 Uiso 1 1 calc R . .
C47 C 0.2435(2) -0.06942(18) 0.93471(17) 0.1125(17) Uiso 1 1 d R . .
H47A H 0.2019 -0.0487 0.9270 0.135 Uiso 1 1 calc R . .
H47B H 0.2499 -0.0860 0.9751 0.135 Uiso 1 1 calc R . .
C48 C 0.2934(2) -0.02635(18) 0.92836(17) 0.1125(17) Uiso 1 1 d R . .
H48A H 0.3231 -0.0227 0.9657 0.135 Uiso 1 1 calc R . .
H48B H 0.2751 0.0146 0.9177 0.135 Uiso 1 1 calc R . .
O2 O 0.1890(4) 0.4305(4) 0.9146(4) 0.115(2) Uiso 1 1 d . . .
C49 C 0.1945(14) 0.3701(13) 0.8835(12) 0.115(2) Uiso 0.50 1 d P A 1
C50 C 0.2534(15) 0.3642(14) 0.8704(13) 0.115(2) Uiso 0.50 1 d P A 1
C51 C 0.2927(15) 0.4300(14) 0.8841(13) 0.115(2) Uiso 0.50 1 d P A 1
C52 C 0.2621(14) 0.4567(13) 0.9354(12) 0.115(2) Uiso 0.50 1 d P A 1
C49' C 0.2114(13) 0.4001(13) 0.9664(12) 0.115(2) Uiso 0.50 1 d P A 2
H49C H 0.2079 0.4267 1.0004 0.138 Uiso 0.50 1 calc PR A 2
H49D H 0.1862 0.3626 0.9695 0.138 Uiso 0.50 1 calc PR A 2
C50' C 0.2673(13) 0.3865(13) 0.9663(12) 0.115(2) Uiso 0.50 1 d P A 2
H50C H 0.2747 0.3452 0.9838 0.138 Uiso 0.50 1 calc PR A 2
H50D H 0.2940 0.4155 0.9924 0.138 Uiso 0.50 1 calc PR A 2
C51' C 0.2908(14) 0.3862(15) 0.9058(12) 0.115(2) Uiso 0.50 1 d P A 2
H51C H 0.3321 0.4073 0.9087 0.138 Uiso 0.50 1 calc PR A 2
H51D H 0.2952 0.3439 0.8919 0.138 Uiso 0.50 1 calc PR A 2
C52' C 0.2452(15) 0.4170(15) 0.8691(12) 0.115(2) Uiso 0.50 1 d P A 2
H52C H 0.2275 0.3917 0.8348 0.138 Uiso 0.50 1 calc PR A 2
H52D H 0.2616 0.4558 0.8554 0.138 Uiso 0.50 1 calc PR A 2
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'
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
N2 Cu1 N6 149.29(18) . .
N2 Cu1 N13 107.40(17) . .
N6 Cu1 N13 103.31(17) . .
N2 Cu1 Cu2 85.17(13) . .
N6 Cu1 Cu2 86.28(13) . .
N13 Cu1 Cu2 106.15(13) . .
N3 Cu2 N7 155.42(19) . .
N3 Cu2 N9 104.97(18) . .
N7 Cu2 N9 99.61(18) . .
N3 Cu2 Cu1 89.04(13) . .
N7 Cu2 Cu1 87.94(13) . .
N9 Cu2 Cu1 98.05(13) . .
N11 Cu3 N10 141.25(18) . 2_656
N11 Cu3 N5 110.01(18) . 3_545
N10 Cu3 N5 108.73(18) 2_656 3_545
N11 Cu3 Cu3 87.88(13) . 2_656
N10 Cu3 Cu3 85.19(13) 2_656 2_656
N5 Cu3 Cu3 100.85(12) 3_545 2_656
N15 Cu4 N14 154.51(17) 2_656 .
N15 Cu4 N4 100.12(17) 2_656 4_556
N14 Cu4 N4 105.37(17) . 4_556
N15 Cu4 Cu4 86.69(13) 2_656 2_656
N14 Cu4 Cu4 87.87(13) . 2_656
N4 Cu4 Cu4 102.16(12) 4_556 2_656
C1 N1 C5 114.6(5) . .
C6 N2 C3 118.1(4) . .
C6 N2 Cu1 123.2(3) . .
C3 N2 Cu1 118.7(3) . .
C6 N3 C9 120.5(4) . .
C6 N3 Cu2 120.8(3) . .
C9 N3 Cu2 118.7(3) . .
C11 N4 C7 115.5(4) . .
C11 N4 Cu4 123.9(4) . 4_546
C7 N4 Cu4 120.1(3) . 4_546
C16 N5 C12 116.0(5) . .
C16 N5 Cu3 125.0(4) . 3_455
C12 N5 Cu3 118.4(4) . 3_455
C17 N6 C14 118.8(4) . .
C17 N6 Cu1 121.1(4) . .
C14 N6 Cu1 119.9(3) . .
C17 N7 C20 120.0(4) . .
C17 N7 Cu2 121.7(4) . .
C20 N7 Cu2 116.6(3) . .
C22 N8 C18 114.3(5) . .
C23 N9 C27 115.2(5) . .
C23 N9 Cu2 121.6(4) . .
C27 N9 Cu2 123.1(4) . .
C28 N10 C25 117.9(5) . .
C28 N10 Cu3 123.3(4) . 2_656
C25 N10 Cu3 118.8(3) . 2_656
C28 N11 C31 117.4(5) . .
C28 N11 Cu3 121.5(4) . .
C31 N11 Cu3 121.1(4) . .
C33 N12 C29 115.2(5) . .
C34 N13 C38 115.4(5) . .
C34 N13 Cu1 122.7(3) . .
C38 N13 Cu1 120.8(4) . .
C39 N14 C36 119.0(4) . .
C39 N14 Cu4 121.1(3) . .
C36 N14 Cu4 119.9(3) . .
C39 N15 C42 119.2(4) . .
C39 N15 Cu4 122.2(4) . 2_656
C42 N15 Cu4 118.3(3) . 2_656
C40 N16 C44 114.4(5) . .
N1 C1 C2 125.0(5) . .
N1 C1 H1A 117.5 . .
C2 C1 H1A 117.5 . .
C1 C2 C3 119.8(5) . .
C1 C2 H2A 120.1 . .
C3 C2 H2A 120.1 . .
C4 C3 C2 115.8(5) . .
C4 C3 N2 125.8(5) . .
C2 C3 N2 118.2(5) . .
C5 C4 C3 119.9(5) . .
C5 C4 H4A 120.1 . .
C3 C4 H4A 120.1 . .
N1 C5 C4 124.8(6) . .
N1 C5 H5A 117.6 . .
C4 C5 H5A 117.6 . .
N3 C6 N2 121.7(5) . .
N3 C6 H6A 119.2 . .
N2 C6 H6A 119.2 . .
N4 C7 C8 124.2(5) . .
N4 C7 H7A 117.9 . .
C8 C7 H7A 117.9 . .
C7 C8 C9 120.3(5) . .
C7 C8 H8A 119.9 . .
C9 C8 H8A 119.9 . .
C10 C9 N3 127.1(5) . .
C10 C9 C8 115.5(5) . .
N3 C9 C8 117.4(4) . .
C11 C10 C9 119.8(5) . .
C11 C10 H10A 120.1 . .
C9 C10 H10A 120.1 . .
N4 C11 C10 124.6(5) . .
N4 C11 H11A 117.7 . .
C10 C11 H11A 117.7 . .
N5 C12 C13 124.3(5) . .
N5 C12 H12A 117.8 . .
C13 C12 H12A 117.8 . .
C12 C13 C14 119.8(5) . .
C12 C13 H13A 120.1 . .
C14 C13 H13A 120.1 . .
C15 C14 C13 116.2(5) . .
C15 C14 N6 125.9(5) . .
C13 C14 N6 117.9(5) . .
C16 C15 C14 119.8(5) . .
C16 C15 H15A 120.1 . .
C14 C15 H15A 120.1 . .
N5 C16 C15 123.8(5) . .
N5 C16 H16A 118.1 . .
C15 C16 H16A 118.1 . .
N6 C17 N7 122.4(5) . .
N6 C17 H17A 118.8 . .
N7 C17 H17A 118.8 . .
N8 C22 C21 126.4(6) . .
N8 C22 H22A 116.8 . .
C21 C22 H22A 116.8 . .
C22 C21 C20 118.5(6) . .
C22 C21 H21A 120.8 . .
C20 C21 H21A 120.8 . .
N7 C20 C19 119.3(5) . .
N7 C20 C21 124.5(5) . .
C19 C20 C21 115.9(5) . .
C18 C19 C20 120.3(6) . .
C18 C19 H19A 119.9 . .
C20 C19 H19A 119.9 . .
N8 C18 C19 124.7(6) . .
N8 C18 H18A 117.7 . .
C19 C18 H18A 117.7 . .
N13 C34 C35 125.4(5) . .
N13 C34 H34A 117.3 . .
C35 C34 H34A 117.3 . .
C34 C35 C36 118.7(5) . .
C34 C35 H35A 120.6 . .
C36 C35 H35A 120.6 . .
C37 C36 N14 119.0(5) . .
C37 C36 C35 115.7(5) . .
N14 C36 C35 125.3(5) . .
C38 C37 C36 121.0(5) . .
C38 C37 H37A 119.5 . .
C36 C37 H37A 119.5 . .
N13 C38 C37 123.7(5) . .
N13 C38 H38A 118.1 . .
C37 C38 H38A 118.1 . .
N14 C39 N15 122.0(5) . .
N14 C39 H39A 119.0 . .
N15 C39 H39A 119.0 . .
N16 C44 C43 123.4(5) . .
N16 C44 H44A 118.3 . .
C43 C44 H44A 118.3 . .
C44 C43 C42 121.3(5) . .
C44 C43 H43A 119.3 . .
C42 C43 H43A 119.3 . .
C41 C42 C43 115.0(5) . .
C41 C42 N15 127.3(5) . .
C43 C42 N15 117.7(5) . .
C40 C41 C42 119.6(5) . .
C40 C41 H41A 120.2 . .
C42 C41 H41A 120.2 . .
N16 C40 C41 126.2(5) . .
N16 C40 H40A 116.9 . .
C41 C40 H40A 116.9 . .
N9 C27 C26 124.6(5) . .
N9 C27 H27A 117.7 . .
C26 C27 H27A 117.7 . .
C27 C26 C25 120.1(5) . .
C27 C26 H26A 119.9 . .
C25 C26 H26A 119.9 . .
C24 C25 C26 115.6(5) . .
C24 C25 N10 125.6(5) . .
C26 C25 N10 118.9(5) . .
C23 C24 C25 120.1(5) . .
C23 C24 H24A 120.0 . .
C25 C24 H24A 120.0 . .
N9 C23 C24 124.2(6) . .
N9 C23 H23A 117.9 . .
C24 C23 H23A 117.9 . .
N11 C28 N10 122.1(5) . .
N11 C28 H28A 119.0 . .
N10 C28 H28A 119.0 . .
N12 C29 C30 124.5(6) . .
N12 C29 H29A 117.8 . .
C30 C29 H29A 117.8 . .
C29 C30 C31 120.2(5) . .
C29 C30 H30A 119.9 . .
C31 C30 H30A 119.9 . .
C32 C31 C30 116.0(5) . .
C32 C31 N11 125.3(5) . .
C30 C31 N11 118.7(5) . .
C31 C32 C33 119.7(5) . .
C31 C32 H32A 120.2 . .
C33 C32 H32A 120.2 . .
N12 C33 C32 124.3(4) . .
N12 C33 H33A 117.9 . .
C32 C33 H33A 117.9 . .
C48 O1 C45 108.0 . .
O1 C45 C46 108.0 . .
O1 C45 H45A 110.1 . .
C46 C45 H45A 110.1 . .
O1 C45 H45B 110.1 . .
C46 C45 H45B 110.1 . .
H45A C45 H45B 108.4 . .
C45 C46 C47 108.0 . .
C45 C46 H46A 110.1 . .
C47 C46 H46A 110.1 . .
C45 C46 H46B 110.1 . .
C47 C46 H46B 110.1 . .
H46A C46 H46B 108.4 . .
C48 C47 C46 108.0 . .
C48 C47 H47A 110.1 . .
C46 C47 H47A 110.1 . .
C48 C47 H47B 110.1 . .
C46 C47 H47B 110.1 . .
H47A C47 H47B 108.4 . .
C47 C48 O1 108.0 . .
C47 C48 H48A 110.1 . .
O1 C48 H48A 110.1 . .
C47 C48 H48B 110.1 . .
O1 C48 H48B 110.1 . .
H48A C48 H48B 108.4 . .
C49' O2 C49 87.2(16) . .
C49' O2 C52 74.9(16) . .
C49 O2 C52 107.0(16) . .
C49' O2 C52' 105.4(16) . .
C49 O2 C52' 56.8(15) . .
C52 O2 C52' 61.5(14) . .
C50 C49 O2 110(2) . .
C49 C50 C51 110(3) . .
C52 C51 C50 102(2) . .
C51 C52 O2 98.5(19) . .
C50' C49' O2 108(3) . .
C50' C49' H49C 110.1 . .
O2 C49' H49C 110.1 . .
C50' C49' H49D 110.1 . .
O2 C49' H49D 110.1 . .
H49C C49' H49D 108.4 . .
C49' C50' C51' 117(3) . .
C49' C50' H50C 108.0 . .
C51' C50' H50C 108.0 . .
C49' C50' H50D 108.0 . .
C51' C50' H50D 108.0 . .
H50C C50' H50D 107.2 . .
C52' C51' C50' 105(2) . .
C52' C51' H51C 110.8 . .
C50' C51' H51C 110.8 . .
C52' C51' H51D 110.8 . .
C50' C51' H51D 110.8 . .
H51C C51' H51D 108.9 . .
C51' C52' O2 102(2) . .
C51' C52' H52C 111.4 . .
O2 C52' H52C 111.4 . .
C51' C52' H52D 111.4 . .
O2 C52' H52D 111.4 . .
H52C C52' H52D 109.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.967(4) .
Cu1 N6 1.981(4) .
Cu1 N13 2.157(4) .
Cu1 Cu2 2.5035(9) .
Cu2 N3 1.933(4) .
Cu2 N7 1.935(4) .
Cu2 N9 2.129(5) .
Cu3 N11 1.943(4) .
Cu3 N10 1.964(4) 2_656
Cu3 N5 2.075(4) 3_545
Cu3 Cu3 2.5463(12) 2_656
Cu4 N15 1.949(4) 2_656
Cu4 N14 1.951(4) .
Cu4 N4 2.155(4) 4_556
Cu4 Cu4 2.4968(13) 2_656
N1 C1 1.327(7) .
N1 C5 1.334(7) .
N2 C6 1.321(7) .
N2 C3 1.416(7) .
N3 C6 1.320(6) .
N3 C9 1.396(6) .
N4 C11 1.335(7) .
N4 C7 1.340(6) .
N4 Cu4 2.155(4) 4_546
N5 C16 1.338(7) .
N5 C12 1.345(7) .
N5 Cu3 2.075(4) 3_455
N6 C17 1.317(7) .
N6 C14 1.403(7) .
N7 C17 1.319(7) .
N7 C20 1.393(7) .
N8 C22 1.320(8) .
N8 C18 1.350(8) .
N9 C23 1.333(7) .
N9 C27 1.341(7) .
N10 C28 1.322(7) .
N10 C25 1.397(7) .
N10 Cu3 1.964(4) 2_656
N11 C28 1.319(7) .
N11 C31 1.408(6) .
N12 C33 1.331(6) .
N12 C29 1.341(8) .
N13 C34 1.331(7) .
N13 C38 1.344(7) .
N14 C39 1.317(6) .
N14 C36 1.397(7) .
N15 C39 1.328(6) .
N15 C42 1.413(7) .
N15 Cu4 1.949(4) 2_656
N16 C40 1.326(7) .
N16 C44 1.342(7) .
C1 C2 1.375(8) .
C1 H1A 0.9300 .
C2 C3 1.387(8) .
C2 H2A 0.9300 .
C3 C4 1.383(7) .
C4 C5 1.377(8) .
C4 H4A 0.9300 .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C7 C8 1.374(7) .
C7 H7A 0.9300 .
C8 C9 1.408(7) .
C8 H8A 0.9300 .
C9 C10 1.392(7) .
C10 C11 1.385(7) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 C13 1.371(7) .
C12 H12A 0.9300 .
C13 C14 1.401(8) .
C13 H13A 0.9300 .
C14 C15 1.396(8) .
C15 C16 1.389(7) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 H17A 0.9300 .
C22 C21 1.375(8) .
C22 H22A 0.9300 .
C21 C20 1.401(8) .
C21 H21A 0.9300 .
C20 C19 1.396(8) .
C19 C18 1.356(8) .
C19 H19A 0.9300 .
C18 H18A 0.9300 .
C34 C35 1.384(7) .
C34 H34A 0.9300 .
C35 C36 1.408(7) .
C35 H35A 0.9300 .
C36 C37 1.393(7) .
C37 C38 1.373(8) .
C37 H37A 0.9300 .
C38 H38A 0.9300 .
C39 H39A 0.9300 .
C44 C43 1.379(8) .
C44 H44A 0.9300 .
C43 C42 1.387(8) .
C43 H43A 0.9300 .
C42 C41 1.385(7) .
C41 C40 1.368(8) .
C41 H41A 0.9300 .
C40 H40A 0.9300 .
C27 C26 1.361(8) .
C27 H27A 0.9300 .
C26 C25 1.395(7) .
C26 H26A 0.9300 .
C25 C24 1.391(8) .
C24 C23 1.377(8) .
C24 H24A 0.9300 .
C23 H23A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.369(8) .
C29 H29A 0.9300 .
C30 C31 1.388(7) .
C30 H30A 0.9300 .
C31 C32 1.387(8) .
C32 C33 1.390(7) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
O1 C48 1.4200 .
O1 C45 1.4200 .
C45 C46 1.4200 .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.4200 .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.4200 .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
O2 C49' 1.36(2) .
O2 C49 1.49(3) .
O2 C52 1.63(3) .
O2 C52' 1.72(3) .
C49 C50 1.33(4) .
C50 C51 1.64(4) .
C51 C52 1.53(4) .
C49' C50' 1.21(3) .
C49' H49C 0.9700 .
C49' H49D 0.9700 .
C50' C51' 1.53(3) .
C50' H50C 0.9700 .
C50' H50D 0.9700 .
C51' C52' 1.33(3) .
C51' H51C 0.9700 .
C51' H51D 0.9700 .
C52' H52C 0.9700 .
C52' H52D 0.9700 .
