#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/74/7117454.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_7117454
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         'C108 H102 B0 Cl0 Cu4 F0 N12 P4'
_chemical_formula_sum            'C108 H102 B0 Cl0 Cu4 F0 N12 P4'
_chemical_formula_weight         1946.06
_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                90.00
_cell_angle_beta                 95.409(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.7551(14)
_cell_length_b                   20.5086(8)
_cell_length_c                   24.6987(14)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      1.27
_cell_volume                     12987.8(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0911
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            34353
_diffrn_reflns_theta_full        26.45
_diffrn_reflns_theta_max         26.45
_diffrn_reflns_theta_min         1.27
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.736
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.995
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4040
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.312
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.900
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         13049
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.900
_refine_ls_R_factor_all          0.1053
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1156P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1768
_refine_ls_wR_factor_ref         0.1932
_reflns_number_gt                7048
_reflns_number_total             13049
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03778f2.cif
_cod_data_source_block           sq
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7117454
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 0.28817(2) 0.00364(2) 0.12680(2) 0.03826(16) Uani 1 1 d .
Cu2 Cu 0.27397(2) -0.00959(2) 0.02282(2) 0.03528(16) Uani 1 1 d .
P1 P 0.28320(4) -0.09687(5) 0.08469(4) 0.0309(3) Uani 1 1 d .
P2 P 0.35228(5) 0.03505(5) 0.01317(5) 0.0395(3) Uani 1 1 d .
N1 N 0.33219(14) -0.04441(16) 0.18821(14) 0.0375(8) Uani 1 1 d .
N2 N 0.24778(14) -0.07957(16) -0.03160(15) 0.0393(9) Uani 1 1 d .
N3 N 0.31423(15) 0.09735(16) 0.12898(15) 0.0443(9) Uani 1 1 d .
N4 N 0.35831(18) -0.0506(2) -0.07760(18) 0.0580(11) Uani 1 1 d .
N100 N 0.21575(16) 0.01695(18) 0.15199(18) 0.0513(11) Uani 1 1 d .
N200 N 0.21457(14) 0.05190(17) 0.01915(16) 0.0442(9) Uani 1 1 d .
C1 C 0.33603(16) -0.13375(18) 0.12753(17) 0.0334(9) Uani 1 1 d .
C2 C 0.35970(16) -0.18053(18) 0.10074(19) 0.0363(10) Uani 1 1 d .
C3 C 0.40711(18) -0.2209(2) 0.1229(2) 0.0498(12) Uani 1 1 d .
H3A H 0.4349 -0.1915 0.1362 0.060 Uiso 1 1 calc R
H3B H 0.3977 -0.2466 0.1535 0.060 Uiso 1 1 calc R
C4 C 0.4269(3) -0.2652(4) 0.0822(3) 0.119(3) Uani 1 1 d .
H4A H 0.4638 -0.2559 0.0827 0.143 Uiso 1 1 calc R
H4B H 0.4243 -0.3088 0.0969 0.143 Uiso 1 1 calc R
C5 C 0.4102(4) -0.2692(6) 0.0332(4) 0.186(6) Uani 1 1 d .
H5A H 0.4074 -0.3155 0.0253 0.223 Uiso 1 1 calc R
H5B H 0.4380 -0.2529 0.0130 0.223 Uiso 1 1 calc R
C6 C 0.36116(18) -0.2393(2) 0.0073(2) 0.0476(12) Uani 1 1 d .
H6A H 0.3359 -0.2736 -0.0021 0.057 Uiso 1 1 calc R
H6B H 0.3685 -0.2179 -0.0262 0.057 Uiso 1 1 calc R
C7 C 0.33747(16) -0.18989(18) 0.04391(19) 0.0359(10) Uani 1 1 d .
C8 C 0.29717(16) -0.15054(18) 0.02901(17) 0.0322(9) Uani 1 1 d .
C9 C 0.26687(16) -0.14074(18) -0.02359(18) 0.0350(10) Uani 1 1 d .
C10 C 0.25523(19) -0.1894(2) -0.06252(19) 0.0452(11) Uani 1 1 d .
H10 H 0.2680 -0.2315 -0.0567 0.054 Uiso 1 1 calc R
C11 C 0.2244(2) -0.1741(2) -0.1100(2) 0.0499(12) Uani 1 1 d .
H11 H 0.2173 -0.2060 -0.1364 0.060 Uiso 1 1 calc R
C12 C 0.2047(2) -0.1140(2) -0.1183(2) 0.0539(13) Uani 1 1 d .
H12 H 0.1835 -0.1039 -0.1497 0.065 Uiso 1 1 calc R
C13 C 0.21719(19) -0.0668(2) -0.07813(18) 0.0487(12) Uani 1 1 d .
H13 H 0.2039 -0.0249 -0.0836 0.058 Uiso 1 1 calc R
C14 C 0.34881(16) -0.1062(2) 0.18165(17) 0.0361(10) Uani 1 1 d .
C15 C 0.37507(17) -0.1393(2) 0.22502(19) 0.0462(11) Uani 1 1 d .
H15 H 0.3852 -0.1824 0.2206 0.055 Uiso 1 1 calc R
C16 C 0.3862(2) -0.1090(3) 0.2743(2) 0.0596(14) Uani 1 1 d .
H16 H 0.4045 -0.1308 0.3031 0.072 Uiso 1 1 calc R
C17 C 0.3699(2) -0.0459(3) 0.2803(2) 0.0611(14) Uani 1 1 d .
H17 H 0.3769 -0.0241 0.3132 0.073 Uiso 1 1 calc R
C18 C 0.3429(2) -0.0159(2) 0.2367(2) 0.0535(13) Uani 1 1 d .
H18 H 0.3315 0.0267 0.2411 0.064 Uiso 1 1 calc R
C19 C 0.22346(15) -0.13149(18) 0.10709(17) 0.0322(9) Uani 1 1 d .
C20 C 0.17578(16) -0.1132(2) 0.07939(19) 0.0422(11) Uani 1 1 d .
H20 H 0.1749 -0.0840 0.0505 0.051 Uiso 1 1 calc R
C21 C 0.12990(18) -0.1391(2) 0.0955(2) 0.0533(13) Uani 1 1 d .
H21 H 0.0982 -0.1279 0.0767 0.064 Uiso 1 1 calc R
C22 C 0.1308(2) -0.1810(2) 0.1387(2) 0.0566(14) Uani 1 1 d .
H22 H 0.0998 -0.1982 0.1491 0.068 Uiso 1 1 calc R
C23 C 0.1775(2) -0.1977(2) 0.1667(2) 0.0546(13) Uani 1 1 d .
H23 H 0.1779 -0.2257 0.1963 0.065 Uiso 1 1 calc R
C24 C 0.22420(18) -0.1731(2) 0.15140(19) 0.0431(11) Uani 1 1 d .
H24 H 0.2557 -0.1845 0.1707 0.052 Uiso 1 1 calc R
C31 C 0.38309(17) 0.06231(19) 0.07773(19) 0.0410(11) Uani 1 1 d .
C32 C 0.42577(17) 0.0261(2) 0.0926(2) 0.0455(12) Uani 1 1 d .
C33 C 0.4569(2) 0.0321(3) 0.1469(3) 0.0670(16) Uani 1 1 d .
H33A H 0.4334 0.0382 0.1750 0.080 Uiso 1 1 calc R
H33B H 0.4794 0.0700 0.1469 0.080 Uiso 1 1 calc R
C34 C 0.4903(3) -0.0298(4) 0.1592(3) 0.107(3) Uani 1 1 d .
H34A H 0.5170 -0.0197 0.1884 0.128 Uiso 1 1 calc R
H34B H 0.4681 -0.0633 0.1725 0.128 Uiso 1 1 calc R
C35 C 0.5150(3) -0.0558(4) 0.1153(3) 0.109(3) Uani 1 1 d .
H35A H 0.5305 -0.0971 0.1270 0.130 Uiso 1 1 calc R
H35B H 0.5434 -0.0267 0.1085 0.130 Uiso 1 1 calc R
C36 C 0.48480(19) -0.0666(2) 0.0645(3) 0.0615(15) Uani 1 1 d .
H36A H 0.4724 -0.1113 0.0638 0.074 Uiso 1 1 calc R
H36B H 0.5076 -0.0620 0.0356 0.074 Uiso 1 1 calc R
C37 C 0.43813(17) -0.0219(2) 0.0521(2) 0.0472(12) Uani 1 1 d .
C38 C 0.40538(17) -0.0223(2) 0.0068(2) 0.0454(12) Uani 1 1 d .
C39 C 0.4013(2) -0.0637(2) -0.0439(2) 0.0493(13) Uani 1 1 d .
C40 C 0.4375(2) -0.1109(3) -0.0557(3) 0.078(2) Uani 1 1 d .
H40 H 0.4676 -0.1185 -0.0327 0.093 Uiso 1 1 calc R
C41 C 0.4261(3) -0.1468(2) -0.1048(3) 0.0759(19) Uani 1 1 d .
H41 H 0.4480 -0.1803 -0.1139 0.091 Uiso 1 1 calc R
C42 C 0.3821(3) -0.1313(3) -0.1385(3) 0.0803(19) Uani 1 1 d .
H42 H 0.3751 -0.1531 -0.1714 0.096 Uiso 1 1 calc R
C43 C 0.3498(3) -0.0853(3) -0.1241(3) 0.0713(17) Uani 1 1 d .
H43 H 0.3199 -0.0766 -0.1471 0.086 Uiso 1 1 calc R
C44 C 0.35940(18) 0.1134(2) 0.1098(2) 0.0455(11) Uani 1 1 d .
C45 C 0.3823(2) 0.1739(2) 0.1189(2) 0.0564(14) Uani 1 1 d .
H45 H 0.4138 0.1835 0.1051 0.068 Uiso 1 1 calc R
C46 C 0.3583(2) 0.2193(3) 0.1481(2) 0.0675(16) Uani 1 1 d .
H46 H 0.3735 0.2600 0.1546 0.081 Uiso 1 1 calc R
C47 C 0.3119(2) 0.2046(2) 0.1678(2) 0.0600(15) Uani 1 1 d .
H47 H 0.2948 0.2352 0.1876 0.072 Uiso 1 1 calc R
C48 C 0.2908(2) 0.1428(2) 0.1577(2) 0.0528(13) Uani 1 1 d .
H48 H 0.2593 0.1325 0.1713 0.063 Uiso 1 1 calc R
C49 C 0.3614(2) 0.1033(2) -0.0328(2) 0.0476(12) Uani 1 1 d .
C50 C 0.4049(2) 0.1440(2) -0.0244(2) 0.0564(14) Uani 1 1 d .
H50 H 0.4293 0.1368 0.0053 0.068 Uiso 1 1 calc R
C51 C 0.4122(2) 0.1945(2) -0.0595(3) 0.0657(17) Uani 1 1 d .
H51 H 0.4417 0.2206 -0.0543 0.079 Uiso 1 1 calc R
C52 C 0.3749(3) 0.2060(2) -0.1027(2) 0.0655(17) Uani 1 1 d .
H52 H 0.3796 0.2400 -0.1267 0.079 Uiso 1 1 calc R
C53 C 0.3323(3) 0.1687(3) -0.1103(2) 0.0730(18) Uani 1 1 d .
H53 H 0.3073 0.1774 -0.1391 0.088 Uiso 1 1 calc R
C54 C 0.3248(2) 0.1160(2) -0.0748(2) 0.0579(14) Uani 1 1 d .
H54 H 0.2950 0.0903 -0.0802 0.069 Uiso 1 1 calc R
C100 C 0.1779(3) 0.0241(3) 0.1678(3) 0.0773(18) Uani 1 1 d .
C101 C 0.1232(4) 0.0306(6) 0.1883(5) 0.166(5) Uani 1 1 d .
H10A H 0.0914(15) 0.050(3) 0.1503(18) 0.248 Uiso 1 1 calc R
H10B H 0.1251(7) 0.071(3) 0.227(2) 0.248 Uiso 1 1 calc R
H10C H 0.1089(14) -0.024(2) 0.205(3) 0.248 Uiso 1 1 calc R
C200 C 0.18744(17) 0.0952(2) 0.0220(2) 0.0447(11) Uani 1 1 d .
C201 C 0.1562(2) 0.1544(2) 0.0227(2) 0.0589(15) Uani 1 1 d .
H20A H 0.1537 0.1681 0.0600 0.071 Uiso 1 1 calc R
H20B H 0.1212 0.1460 0.0060 0.071 Uiso 1 1 calc R
C202 C 0.18193(18) 0.2087(2) -0.0089(2) 0.0547(14) Uani 1 1 d .
H20C H 0.1827 0.1954 -0.0465 0.066 Uiso 1 1 calc R
H20D H 0.1611 0.2481 -0.0083 0.066 Uiso 1 1 calc R
C203 C 0.23736(19) 0.2234(2) 0.0154(2) 0.0549(14) Uani 1 1 d .
H20E H 0.2366 0.2365 0.0530 0.066 Uiso 1 1 calc R
H20F H 0.2582 0.1840 0.0148 0.066 Uiso 1 1 calc 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'
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
N3 Cu1 N100 100.04(15) .
N3 Cu1 N1 105.99(14) .
N100 Cu1 N1 107.19(16) .
N3 Cu1 P1 149.32(11) .
N100 Cu1 P1 104.10(11) .
N1 Cu1 P1 84.71(10) .
N3 Cu1 Cu2 98.13(11) .
N100 Cu1 Cu2 105.69(13) .
N1 Cu1 Cu2 134.57(10) .
P1 Cu1 Cu2 57.28(3) .
N200 Cu2 N2 102.27(15) .
N200 Cu2 P2 115.68(11) .
N2 Cu2 P2 117.48(11) .
N200 Cu2 P1 123.07(11) .
N2 Cu2 P1 84.23(10) .
P2 Cu2 P1 110.01(4) .
N200 Cu2 Cu1 90.87(11) .
N2 Cu2 Cu1 137.70(10) .
P2 Cu2 Cu1 91.05(4) .
P1 Cu2 Cu1 55.64(3) .
C1 P1 C8 89.87(19) .
C1 P1 C19 105.60(19) .
C8 P1 C19 103.03(18) .
C1 P1 Cu1 95.92(13) .
C8 P1 Cu1 150.78(13) .
C19 P1 Cu1 102.90(12) .
C1 P1 Cu2 136.30(13) .
C8 P1 Cu2 89.11(13) .
C19 P1 Cu2 117.15(14) .
Cu1 P1 Cu2 67.08(3) .
C31 P2 C38 90.3(2) .
C31 P2 C49 103.9(2) .
C38 P2 C49 107.4(2) .
C31 P2 Cu2 110.93(15) .
C38 P2 Cu2 115.75(14) .
C49 P2 Cu2 123.06(17) .
C18 N1 C14 118.4(4) .
C18 N1 Cu1 120.2(3) .
C14 N1 Cu1 121.3(3) .
C9 N2 C13 118.5(4) .
C9 N2 Cu2 117.6(3) .
C13 N2 Cu2 123.5(3) .
C44 N3 C48 117.6(4) .
C44 N3 Cu1 121.2(3) .
C48 N3 Cu1 120.3(3) .
C39 N4 C43 118.5(5) .
C100 N100 Cu1 176.9(5) .
C200 N200 Cu2 166.6(4) .
C2 C1 C14 130.8(4) .
C2 C1 P1 111.2(3) .
C14 C1 P1 117.8(3) .
C1 C2 C7 114.0(4) .
C1 C2 C3 126.4(4) .
C7 C2 C3 119.6(4) .
C4 C3 C2 113.7(5) .
C5 C4 C3 126.2(6) .
C4 C5 C6 126.0(6) .
C5 C6 C7 112.9(5) .
C8 C7 C2 113.8(4) .
C8 C7 C6 125.6(4) .
C2 C7 C6 120.6(4) .
C7 C8 C9 131.4(4) .
C7 C8 P1 111.1(3) .
C9 C8 P1 117.4(3) .
N2 C9 C10 120.6(4) .
N2 C9 C8 114.3(3) .
C10 C9 C8 125.0(4) .
C11 C10 C9 119.1(4) .
C12 C11 C10 121.0(4) .
C11 C12 C13 117.9(5) .
N2 C13 C12 122.8(4) .
N1 C14 C15 120.1(4) .
N1 C14 C1 115.2(4) .
C15 C14 C1 124.7(4) .
C16 C15 C14 120.6(5) .
C17 C16 C15 118.8(5) .
C18 C17 C16 118.4(5) .
N1 C18 C17 123.6(5) .
C24 C19 C20 119.8(4) .
C24 C19 P1 121.9(3) .
C20 C19 P1 118.2(3) .
C21 C20 C19 119.3(5) .
C22 C21 C20 120.8(5) .
C21 C22 C23 119.9(5) .
C22 C23 C24 120.8(5) .
C19 C24 C23 119.4(4) .
C32 C31 C44 127.6(5) .
C32 C31 P2 110.5(4) .
C44 C31 P2 121.6(3) .
C31 C32 C37 114.1(5) .
C31 C32 C33 123.4(5) .
C37 C32 C33 122.5(4) .
C32 C33 C34 110.3(5) .
C35 C34 C33 116.2(6) .
C34 C35 C36 119.0(6) .
C35 C36 C37 116.0(5) .
C38 C37 C32 114.7(4) .
C38 C37 C36 126.1(5) .
C32 C37 C36 119.1(5) .
C37 C38 C39 133.5(4) .
C37 C38 P2 110.0(4) .
C39 C38 P2 116.2(4) .
N4 C39 C40 122.4(5) .
N4 C39 C38 112.9(4) .
C40 C39 C38 124.6(5) .
C39 C40 C41 116.6(6) .
C42 C41 C40 119.1(5) .
C43 C42 C41 120.1(7) .
C42 C43 N4 123.2(7) .
N3 C44 C45 122.3(5) .
N3 C44 C31 115.6(4) .
C45 C44 C31 122.1(4) .
C46 C45 C44 119.5(5) .
C45 C46 C47 119.6(5) .
C46 C47 C48 118.4(5) .
N3 C48 C47 122.5(5) .
C54 C49 C50 119.2(5) .
C54 C49 P2 120.0(4) .
C50 C49 P2 120.8(4) .
C51 C50 C49 120.7(5) .
C50 C51 C52 119.3(6) .
C53 C52 C51 120.7(5) .
C52 C53 C54 120.5(6) .
C49 C54 C53 119.6(6) .
N100 C100 C101 176.7(8) .
N200 C200 C201 174.3(5) .
C200 C201 C202 109.3(4) .
C203 C202 C201 112.0(4) .
C203 C203 C202 112.1(5) 7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 2.035(4) .
Cu1 N100 2.039(4) .
Cu1 N1 2.057(4) .
Cu1 P1 2.3069(11) .
Cu1 Cu2 2.5740(8) .
Cu2 N200 1.978(4) .
Cu2 N2 2.037(4) .
Cu2 P2 2.2481(13) .
Cu2 P1 2.3511(11) .
P1 C1 1.809(4) .
P1 C8 1.824(4) .
P1 C19 1.827(4) .
P2 C31 1.802(5) .
P2 C38 1.822(4) .
P2 C49 1.830(5) .
N1 C18 1.339(6) .
N1 C14 1.353(5) .
N2 C9 1.355(5) .
N2 C13 1.356(5) .
N3 C44 1.338(6) .
N3 C48 1.349(6) .
N4 C39 1.349(6) .
N4 C43 1.351(7) .
N100 C100 1.094(7) .
N200 C200 1.136(5) .
C1 C2 1.344(6) .
C1 C14 1.460(6) .
C2 C7 1.478(6) .
C2 C3 1.533(6) .
C3 C4 1.480(7) .
C4 C5 1.249(9) .
C5 C6 1.493(8) .
C6 C7 1.524(6) .
C7 C8 1.339(6) .
C8 C9 1.465(6) .
C9 C10 1.399(6) .
C10 C11 1.388(7) .
C11 C12 1.342(7) .
C12 C13 1.401(7) .
C14 C15 1.388(6) .
C15 C16 1.373(7) .
C16 C17 1.372(7) .
C17 C18 1.371(7) .
C19 C24 1.387(6) .
C19 C20 1.400(6) .
C20 C21 1.388(6) .
C21 C22 1.368(7) .
C22 C23 1.373(7) .
C23 C24 1.389(6) .
C31 C32 1.349(6) .
C31 C44 1.479(6) .
C32 C37 1.460(7) .
C32 C33 1.500(7) .
C33 C34 1.548(8) .
C34 C35 1.414(9) .
C35 C36 1.428(8) .
C36 C37 1.520(6) .
C37 C38 1.336(7) .
C38 C39 1.506(7) .
C39 C40 1.394(7) .
C40 C41 1.426(9) .
C41 C42 1.378(9) .
C42 C43 1.328(8) .
C44 C45 1.384(6) .
C45 C46 1.359(7) .
C46 C47 1.368(7) .
C47 C48 1.391(7) .
C49 C54 1.361(7) .
C49 C50 1.398(7) .
C50 C51 1.374(7) .
C51 C52 1.387(8) .
C52 C53 1.337(8) .
C53 C54 1.416(7) .
C100 C101 1.546(10) .
C200 C201 1.458(6) .
C201 C202 1.545(6) .
C202 C203 1.525(7) .
C203 C203 1.512(9) 7
