#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/74/7117449.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_7117449
loop_
_publ_author_name
'Shen, W.'
'El Sayed Moussa, M.'
'Yao, Y.'
'Lescop, C.'
_publ_section_title
;
 Supramolecular metallacycles with a 'pseudo double-paracyclophane'
 structure based on flexible π-conjugated linkers.
;
_journal_issue                   58
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11560
_journal_page_last               11563
_journal_paper_doi               10.1039/c5cc03778f
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C54 H50 Cl0 Cu2 F0 N6 P2'
_chemical_formula_sum            'C54 H50 Cl0 Cu2 F0 N6 P2'
_chemical_formula_weight         972.02
_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
_audit_update_record
;
2015-05-03 deposited with the CCDC.
2015-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.352(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.589(1)
_cell_length_b                   17.564(1)
_cell_length_c                   29.171(1)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.78
_cell_volume                     13072.1(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  ccd
_diffrn_measurement_method       none
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.1335
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            25063
_diffrn_reflns_theta_full        27.16
_diffrn_reflns_theta_max         27.16
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.988
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4032
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.895
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         14411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.895
_refine_ls_R_factor_all          0.1636
_refine_ls_R_factor_gt           0.0864
_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)+(0.1484P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2221
_refine_ls_wR_factor_ref         0.2523
_reflns_number_gt                6337
_reflns_number_total             14411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03778f2.cif
_cod_data_source_block           bn346
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7117449
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
Cu1 Cu 0.19602(3) 0.07718(4) 0.61334(2) 0.0551(2) Uani 1 1 d .
Cu2 Cu 0.16928(3) 0.17473(4) 0.66705(2) 0.0584(2) Uani 1 1 d .
P1 P 0.19327(6) 0.20923(8) 0.60050(5) 0.0589(4) Uani 1 1 d .
P2 P 0.11621(6) 0.02349(8) 0.59507(4) 0.0521(4) Uani 1 1 d .
N1 N 0.2374(2) 0.0726(3) 0.56415(16) 0.0671(14) Uani 1 1 d .
N2 N 0.1286(2) 0.2738(3) 0.65594(19) 0.0687(13) Uani 1 1 d .
N3 N 0.1365(2) 0.1019(3) 0.70390(15) 0.0677(14) Uani 1 1 d .
N4 N 0.1292(2) -0.0021(3) 0.50173(15) 0.0593(12) Uani 1 1 d .
N100 N 0.24577(19) 0.0323(3) 0.67076(17) 0.0619(12) Uani 1 1 d .
N200 N 0.2357(2) 0.2005(3) 0.72117(16) 0.0636(13) Uani 1 1 d .
C1 C 0.1927(3) 0.1896(4) 0.53894(19) 0.073(2) Uani 1 1 d .
C2 C 0.1566(3) 0.2316(4) 0.5073(2) 0.0747(19) Uani 1 1 d .
C3 C 0.1421(3) 0.2273(5) 0.4540(2) 0.098(3) Uani 1 1 d .
H3A H 0.1668 0.2574 0.4427 0.118 Uiso 1 1 calc R
H3B H 0.1451 0.1749 0.4446 0.118 Uiso 1 1 calc R
C4 C 0.0888(4) 0.2544(9) 0.4307(3) 0.154(5) Uani 1 1 d .
H4A H 0.0823 0.2536 0.3963 0.184 Uiso 1 1 calc R
H4B H 0.0634 0.2213 0.4389 0.184 Uiso 1 1 calc R
C5 C 0.0833(5) 0.3286(6) 0.4459(3) 0.166(5) Uani 1 1 d .
H5A H 0.0506 0.3493 0.4261 0.199 Uiso 1 1 calc R
H5B H 0.1115 0.3594 0.4407 0.199 Uiso 1 1 calc R
C6 C 0.0839(3) 0.3369(4) 0.5034(3) 0.119(3) Uani 1 1 d .
H6A H 0.0904 0.3892 0.5141 0.143 Uiso 1 1 calc R
H6B H 0.0507 0.3206 0.5078 0.143 Uiso 1 1 calc R
C7 C 0.1292(3) 0.2841(4) 0.5310(2) 0.088(3) Uani 1 1 d .
C8 C 0.1434(2) 0.2803(3) 0.5801(2) 0.0681(17) Uani 1 1 d .
C9 C 0.1225(3) 0.3154(4) 0.6150(3) 0.086(2) Uani 1 1 d .
C10 C 0.0995(3) 0.3885(5) 0.6111(4) 0.098(2) Uani 1 1 d .
H10 H 0.0980 0.4177 0.5842 0.117 Uiso 1 1 calc R
C11 C 0.0806(3) 0.4158(5) 0.6436(4) 0.108(3) Uani 1 1 d .
H11 H 0.0651 0.4637 0.6394 0.130 Uiso 1 1 calc R
C12 C 0.0832(3) 0.3733(5) 0.6863(4) 0.107(3) Uani 1 1 d .
H12 H 0.0684 0.3910 0.7096 0.129 Uiso 1 1 calc R
C13 C 0.1095(3) 0.3033(4) 0.6903(3) 0.093(2) Uani 1 1 d .
H13 H 0.1141 0.2757 0.7184 0.111 Uiso 1 1 calc R
C14 C 0.2277(3) 0.1290(4) 0.5303(2) 0.0741(19) Uani 1 1 d .
C15 C 0.2483(3) 0.1258(5) 0.4916(2) 0.085(2) Uani 1 1 d .
H15 H 0.2406 0.1638 0.4685 0.102 Uiso 1 1 calc R
C16 C 0.2798(4) 0.0669(7) 0.4878(3) 0.111(3) Uani 1 1 d .
H16 H 0.2942 0.0647 0.4622 0.133 Uiso 1 1 calc R
C17 C 0.2905(3) 0.0101(5) 0.5219(3) 0.096(2) Uani 1 1 d .
H17 H 0.3121 -0.0306 0.5198 0.116 Uiso 1 1 calc R
C18 C 0.2681(3) 0.0154(5) 0.5592(2) 0.0816(19) Uani 1 1 d .
H18 H 0.2749 -0.0231 0.5820 0.098 Uiso 1 1 calc R
C19 C 0.2553(2) 0.2593(3) 0.62541(17) 0.0592(15) Uani 1 1 d .
C20 C 0.2552(2) 0.3393(3) 0.62931(17) 0.0583(14) Uani 1 1 d .
H20 H 0.2241 0.3665 0.6186 0.070 Uiso 1 1 calc R
C21 C 0.3022(3) 0.3771(4) 0.64939(19) 0.0732(18) Uani 1 1 d .
H21 H 0.3031 0.4299 0.6514 0.088 Uiso 1 1 calc R
C22 C 0.3474(3) 0.3352(5) 0.6663(2) 0.084(2) Uani 1 1 d .
H22 H 0.3788 0.3601 0.6804 0.101 Uiso 1 1 calc R
C23 C 0.3469(3) 0.2574(4) 0.6626(2) 0.080(2) Uani 1 1 d .
H23 H 0.3779 0.2300 0.6736 0.095 Uiso 1 1 calc R
C24 C 0.2998(2) 0.2194(4) 0.6422(2) 0.0729(18) Uani 1 1 d .
H24 H 0.2993 0.1666 0.6403 0.088 Uiso 1 1 calc R
C31 C 0.0765(2) 0.0657(3) 0.62891(17) 0.0562(14) Uani 1 1 d .
C32 C 0.0367(2) 0.1063(3) 0.60051(19) 0.0598(15) Uani 1 1 d .
C33 C 0.0006(2) 0.1579(4) 0.6179(2) 0.0685(16) Uani 1 1 d .
H33A H -0.0266 0.1276 0.6254 0.082 Uiso 1 1 calc R
H33B H 0.0203 0.1834 0.6469 0.082 Uiso 1 1 calc R
C34 C -0.0242(4) 0.2159(6) 0.5811(3) 0.131(3) Uani 1 1 d .
H34A H -0.0528 0.2391 0.5906 0.157 Uiso 1 1 calc R
H34B H 0.0015 0.2554 0.5820 0.157 Uiso 1 1 calc R
C35 C -0.0434(3) 0.1921(5) 0.5344(3) 0.104(3) Uani 1 1 d .
H35A H -0.0541 0.2369 0.5147 0.125 Uiso 1 1 calc R
H35B H -0.0747 0.1622 0.5320 0.125 Uiso 1 1 calc R
C36 C -0.0072(2) 0.1450(3) 0.51268(19) 0.0618(15) Uani 1 1 d .
H36A H -0.0284 0.1105 0.4891 0.074 Uiso 1 1 calc R
H36B H 0.0105 0.1792 0.4962 0.074 Uiso 1 1 calc R
C37 C 0.0333(2) 0.0996(3) 0.54833(17) 0.0508(13) Uani 1 1 d .
C38 C 0.0707(2) 0.0546(3) 0.53917(17) 0.0536(14) Uani 1 1 d .
C39 C 0.0847(2) 0.0356(3) 0.49504(17) 0.0534(14) Uani 1 1 d .
C40 C 0.0536(2) 0.0576(4) 0.44885(18) 0.0672(16) Uani 1 1 d .
H40 H 0.0222 0.0839 0.4442 0.081 Uiso 1 1 calc R
C41 C 0.0732(3) 0.0373(4) 0.4107(2) 0.081(2) Uani 1 1 d .
H41 H 0.0539 0.0498 0.3798 0.097 Uiso 1 1 calc R
C42 C 0.1188(3) 0.0004(4) 0.4172(2) 0.0690(17) Uani 1 1 d .
H42 H 0.1319 -0.0116 0.3917 0.083 Uiso 1 1 calc R
C43 C 0.1455(3) -0.0191(3) 0.4640(2) 0.0681(16) Uani 1 1 d .
H43 H 0.1768 -0.0458 0.4691 0.082 Uiso 1 1 calc R
C44 C 0.0913(3) 0.0648(3) 0.68177(18) 0.0657(17) Uani 1 1 d .
C45 C 0.0621(3) 0.0301(5) 0.7074(2) 0.104(3) Uani 1 1 d .
H45 H 0.0305 0.0069 0.6917 0.125 Uiso 1 1 calc R
C46 C 0.0803(5) 0.0295(6) 0.7579(3) 0.154(5) Uani 1 1 d .
H46 H 0.0608 0.0060 0.7758 0.185 Uiso 1 1 calc R
C47 C 0.1247(4) 0.0627(5) 0.7787(2) 0.125(4) Uani 1 1 d .
H47 H 0.1375 0.0614 0.8119 0.150 Uiso 1 1 calc R
C48 C 0.1538(3) 0.1006(4) 0.7519(2) 0.090(2) Uani 1 1 d .
H48 H 0.1850 0.1249 0.7674 0.107 Uiso 1 1 calc R
C49 C 0.1097(2) -0.0806(3) 0.60074(17) 0.0590(15) Uani 1 1 d .
C50 C 0.0723(2) -0.1103(3) 0.62096(17) 0.0569(14) Uani 1 1 d .
H50 H 0.0511 -0.0782 0.6328 0.068 Uiso 1 1 calc R
C51 C 0.0674(2) -0.1891(4) 0.62295(19) 0.0651(16) Uani 1 1 d .
H51 H 0.0420 -0.2101 0.6354 0.078 Uiso 1 1 calc R
C52 C 0.1002(3) -0.2367(4) 0.60655(19) 0.0699(17) Uani 1 1 d .
H52 H 0.0967 -0.2893 0.6077 0.084 Uiso 1 1 calc R
C53 C 0.1381(3) -0.2048(4) 0.5885(2) 0.0683(16) Uani 1 1 d .
H53 H 0.1608 -0.2364 0.5781 0.082 Uiso 1 1 calc R
C54 C 0.1430(2) -0.1278(3) 0.58560(18) 0.0609(15) Uani 1 1 d .
H54 H 0.1688 -0.1073 0.5734 0.073 Uiso 1 1 calc R
C100 C 0.2669(2) 0.0037(3) 0.7049(2) 0.0635(16) Uani 1 1 d .
C101 C 0.2930(3) -0.0384(4) 0.7490(2) 0.081(2) Uani 1 1 d .
H10A H 0.2923 -0.0083 0.7767 0.098 Uiso 1 1 calc R
H10B H 0.3293 -0.0478 0.7503 0.098 Uiso 1 1 calc R
C102 C 0.2654(2) -0.1129(3) 0.74984(18) 0.0617(15) Uani 1 1 d .
H10C H 0.2910 -0.1518 0.7493 0.074 Uiso 1 1 calc R
H10D H 0.2598 -0.1157 0.7813 0.074 Uiso 1 1 calc R
C103 C 0.2206(2) -0.1371(3) 0.71966(19) 0.0593(14) Uani 1 1 d .
H10E H 0.2256 -0.1333 0.6881 0.071 Uiso 1 1 calc R
H10F H 0.1945 -0.0992 0.7209 0.071 Uiso 1 1 calc R
C104 C 0.1948(3) -0.2131(4) 0.7209(2) 0.0790(19) Uani 1 1 d .
H10G H 0.1642 -0.2069 0.7325 0.095 Uiso 1 1 calc R
H10H H 0.1836 -0.2347 0.6891 0.095 Uiso 1 1 calc R
C105 C 0.2669(2) 0.2361(3) 0.74690(19) 0.0618(15) Uani 1 1 d .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N100 Cu1 N1 102.4(2) . .
N100 Cu1 P2 113.28(14) . .
N1 Cu1 P2 118.50(14) . .
N100 Cu1 P1 120.72(14) . .
N1 Cu1 P1 85.72(16) . .
P2 Cu1 P1 113.10(6) . .
N100 Cu1 Cu2 89.03(14) . .
N1 Cu1 Cu2 139.11(15) . .
P2 Cu1 Cu2 91.13(5) . .
P1 Cu1 Cu2 55.49(5) . .
N3 Cu2 N2 109.8(2) . .
N3 Cu2 N200 97.87(19) . .
N2 Cu2 N200 103.77(19) . .
N3 Cu2 P1 152.13(14) . .
N2 Cu2 P1 84.30(17) . .
N200 Cu2 P1 102.01(15) . .
N3 Cu2 Cu1 97.93(15) . .
N2 Cu2 Cu1 134.93(16) . .
N200 Cu2 Cu1 106.88(15) . .
P1 Cu2 Cu1 57.67(5) . .
C8 P1 C1 90.3(3) . .
C8 P1 C19 107.3(3) . .
C1 P1 C19 103.8(3) . .
C8 P1 Cu2 96.2(2) . .
C1 P1 Cu2 149.06(17) . .
C19 P1 Cu2 103.05(17) . .
C8 P1 Cu1 136.57(19) . .
C1 P1 Cu1 87.8(2) . .
C19 P1 Cu1 115.3(2) . .
Cu2 P1 Cu1 66.83(4) . .
C31 P2 C38 91.3(3) . .
C31 P2 C49 106.0(3) . .
C38 P2 C49 108.8(2) . .
C31 P2 Cu1 111.03(18) . .
C38 P2 Cu1 115.62(17) . .
C49 P2 Cu1 120.0(2) . .
C18 N1 C14 117.7(6) . .
C18 N1 Cu1 125.2(4) . .
C14 N1 Cu1 116.7(5) . .
C13 N2 C9 117.8(6) . .
C13 N2 Cu2 120.5(5) . .
C9 N2 Cu2 121.6(5) . .
C48 N3 C44 119.0(5) . .
C48 N3 Cu2 119.4(4) . .
C44 N3 Cu2 120.5(3) . .
C39 N4 C43 118.6(5) . .
C100 N100 Cu1 169.1(5) . .
C105 N200 Cu2 159.3(5) . .
C2 C1 C14 129.5(6) . .
C2 C1 P1 112.2(6) . .
C14 C1 P1 118.1(4) . .
C1 C2 C7 112.0(6) . .
C1 C2 C3 127.6(8) . .
C7 C2 C3 120.4(6) . .
C4 C3 C2 113.4(8) . .
C5 C4 C3 109.3(10) . .
C4 C5 C6 115.2(8) . .
C7 C6 C5 104.7(8) . .
C8 C7 C2 115.7(6) . .
C8 C7 C6 120.9(8) . .
C2 C7 C6 123.2(7) . .
C7 C8 C9 132.3(7) . .
C7 C8 P1 109.7(6) . .
C9 C8 P1 117.6(5) . .
N2 C9 C10 119.6(8) . .
N2 C9 C8 114.6(6) . .
C10 C9 C8 125.6(7) . .
C11 C10 C9 122.2(9) . .
C10 C11 C12 120.8(8) . .
C13 C12 C11 115.4(8) . .
N2 C13 C12 123.9(8) . .
N1 C14 C15 121.3(8) . .
N1 C14 C1 113.4(6) . .
C15 C14 C1 125.3(7) . .
C16 C15 C14 119.6(8) . .
C15 C16 C17 119.8(8) . .
C18 C17 C16 118.2(9) . .
N1 C18 C17 123.5(7) . .
C24 C19 C20 120.8(5) . .
C24 C19 P1 119.9(4) . .
C20 C19 P1 119.2(5) . .
C21 C20 C19 119.2(6) . .
C22 C21 C20 119.1(6) . .
C23 C22 C21 121.1(6) . .
C22 C23 C24 119.8(7) . .
C19 C24 C23 119.9(6) . .
C32 C31 C44 125.3(6) . .
C32 C31 P2 111.2(4) . .
C44 C31 P2 122.9(5) . .
C31 C32 C37 113.2(5) . .
C31 C32 C33 125.1(5) . .
C37 C32 C33 121.6(5) . .
C34 C33 C32 111.3(6) . .
C35 C34 C33 118.0(8) . .
C34 C35 C36 118.0(7) . .
C37 C36 C35 114.3(5) . .
C38 C37 C36 126.6(5) . .
C38 C37 C32 114.0(5) . .
C36 C37 C32 119.2(5) . .
C37 C38 C39 133.1(5) . .
C37 C38 P2 109.8(4) . .
C39 C38 P2 116.5(5) . .
N4 C39 C40 122.3(5) . .
N4 C39 C38 114.8(5) . .
C40 C39 C38 122.9(6) . .
C41 C40 C39 115.8(6) . .
C42 C41 C40 122.5(6) . .
C41 C42 C43 116.5(6) . .
N4 C43 C42 124.4(7) . .
N3 C44 C45 121.1(5) . .
N3 C44 C31 115.4(5) . .
C45 C44 C31 123.4(5) . .
C44 C45 C46 119.6(7) . .
C47 C46 C45 118.7(7) . .
C46 C47 C48 121.1(6) . .
N3 C48 C47 120.3(6) . .
C54 C49 C50 120.8(5) . .
C54 C49 P2 119.0(4) . .
C50 C49 P2 120.2(5) . .
C49 C50 C51 118.4(6) . .
C52 C51 C50 120.7(6) . .
C53 C52 C51 119.0(6) . .
C54 C53 C52 121.2(6) . .
C53 C54 C49 119.9(6) . .
N100 C100 C101 176.5(6) . .
C100 C101 C102 109.8(5) . .
C103 C102 C101 128.0(5) . .
C102 C103 C104 126.5(5) . .
C105 C104 C103 108.3(5) 4_546 .
N200 C105 C104 176.1(6) . 4_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N100 1.982(5) .
Cu1 N1 2.041(5) .
Cu1 P2 2.2449(16) .
Cu1 P1 2.3473(17) .
Cu1 Cu2 2.5538(11) .
Cu2 N3 2.021(4) .
Cu2 N2 2.026(5) .
Cu2 N200 2.061(5) .
Cu2 P1 2.2891(16) .
P1 C8 1.797(6) .
P1 C1 1.824(6) .
P1 C19 1.830(5) .
P2 C31 1.796(6) .
P2 C38 1.820(5) .
P2 C49 1.848(6) .
N1 C18 1.328(9) .
N1 C14 1.370(8) .
N2 C13 1.349(10) .
N2 C9 1.371(8) .
N3 C48 1.344(7) .
N3 C44 1.359(7) .
N4 C39 1.322(7) .
N4 C43 1.324(7) .
N100 C100 1.117(6) .
N200 C105 1.137(7) .
C1 C2 1.347(9) .
C1 C14 1.482(10) .
C2 C7 1.465(11) .
C2 C3 1.495(8) .
C3 C4 1.469(12) .
C4 C5 1.396(15) .
C5 C6 1.679(15) .
C6 C7 1.554(10) .
C7 C8 1.377(9) .
C8 C9 1.426(10) .
C9 C10 1.413(11) .
C10 C11 1.283(12) .
C11 C12 1.436(12) .
C12 C13 1.403(11) .
C14 C15 1.387(10) .
C15 C16 1.356(12) .
C16 C17 1.382(12) .
C17 C18 1.382(10) .
C19 C24 1.343(8) .
C19 C20 1.410(8) .
C20 C21 1.390(8) .
C21 C22 1.377(10) .
C22 C23 1.370(10) .
C23 C24 1.395(8) .
C31 C32 1.350(8) .
C31 C44 1.480(7) .
C32 C37 1.504(7) .
C32 C33 1.507(8) .
C33 C34 1.491(10) .
C34 C35 1.379(11) .
C35 C36 1.536(10) .
C36 C37 1.498(7) .
C37 C38 1.355(8) .
C38 C39 1.475(8) .
C39 C40 1.422(7) .
C40 C41 1.401(9) .
C41 C42 1.340(9) .
C42 C43 1.394(8) .
C44 C45 1.362(8) .
C45 C46 1.415(9) .
C46 C47 1.304(11) .
C47 C48 1.413(10) .
C49 C54 1.372(8) .
C49 C50 1.393(8) .
C50 C51 1.394(8) .
C51 C52 1.385(9) .
C52 C53 1.381(9) .
C53 C54 1.363(8) .
C100 C101 1.475(8) .
C101 C102 1.503(8) .
C102 C103 1.334(7) .
C103 C104 1.506(8) .
C104 C105 1.475(8) 4_546
C105 C104 1.475(8) 4_556
