#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/74/7117451.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_7117451
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         'C172 H140 B0 Cl0 Cu4 F0 N12 P4'
_chemical_formula_sum            'C172 H140 B0 Cl0 Cu4 F0 N12 P4'
_chemical_formula_weight         2753.00
_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
_audit_update_record
;
2012-08-31 deposited with the CCDC.
2015-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                107.871(4)
_cell_angle_beta                 104.457(4)
_cell_angle_gamma                97.386(4)
_cell_formula_units_Z            1
_cell_length_a                   15.705(2)
_cell_length_b                   17.816(2)
_cell_length_c                   21.535(2)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      1.04
_cell_volume                     5413.8(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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0719
_diffrn_reflns_av_sigmaI/netI    0.1744
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            45854
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.04
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.456
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.844
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       0.0028(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.931
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     866
_refine_ls_number_reflns         21982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.1413
_refine_ls_R_factor_gt           0.0843
_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)+(0.1103P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2170
_refine_ls_wR_factor_ref         0.2346
_reflns_number_gt                9948
_reflns_number_total             21982
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03778f2.cif
_cod_data_source_block           7
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7117451
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
Cu1 Cu 0.60555(4) 0.36194(4) 0.33283(3) 0.03288(19) Uani 1 1 d .
Cu2 Cu 0.74436(4) 0.33632(4) 0.28803(3) 0.03123(19) Uani 1 1 d .
P1 P 0.75243(7) 0.41222(9) 0.40324(6) 0.0282(3) Uani 1 1 d .
P2 P 0.71292(9) 0.20336(10) 0.27121(7) 0.0387(4) Uani 1 1 d .
N1 N 0.5737(3) 0.3778(3) 0.4224(2) 0.0325(10) Uani 1 1 d .
N2 N 0.8794(2) 0.3893(3) 0.3200(2) 0.0325(10) Uani 1 1 d .
N3 N 0.5123(3) 0.2712(3) 0.2527(2) 0.0390(11) Uani 1 1 d .
N4 N 0.9064(3) 0.2094(3) 0.3294(3) 0.0506(13) Uani 1 1 d .
N100 N 0.5701(3) 0.4598(3) 0.3109(2) 0.0382(12) Uani 1 1 d .
N200 N 0.6926(3) 0.3746(3) 0.2121(2) 0.0348(11) Uani 1 1 d .
C1 C 0.7306(3) 0.3924(3) 0.4755(3) 0.0358(13) Uani 1 1 d .
C2 C 0.8048(3) 0.3739(3) 0.5137(2) 0.0350(13) Uani 1 1 d .
C3 C 0.8109(4) 0.3518(4) 0.5765(3) 0.0492(16) Uani 1 1 d .
H3A H 0.7651 0.3034 0.5649 0.059 Uiso 1 1 calc R
H3B H 0.7990 0.3952 0.6112 0.059 Uiso 1 1 calc R
C4 C 0.9043(5) 0.3367(7) 0.6060(4) 0.097(3) Uani 1 1 d .
H4A H 0.9412 0.3874 0.6404 0.117 Uiso 1 1 calc R
H4B H 0.8965 0.2990 0.6294 0.117 Uiso 1 1 calc R
C5 C 0.9512(5) 0.3083(6) 0.5631(5) 0.098(3) Uani 1 1 d .
H5A H 0.9205 0.2529 0.5347 0.117 Uiso 1 1 calc R
H5B H 1.0098 0.3067 0.5906 0.117 Uiso 1 1 calc R
C6 C 0.9663(4) 0.3515(4) 0.5176(3) 0.0464(15) Uani 1 1 d .
H6A H 0.9852 0.3169 0.4815 0.056 Uiso 1 1 calc R
H6B H 1.0145 0.3993 0.5434 0.056 Uiso 1 1 calc R
C7 C 0.8825(3) 0.3763(3) 0.4861(3) 0.0335(12) Uani 1 1 d .
C8 C 0.8659(3) 0.3961(3) 0.4297(3) 0.0350(13) Uani 1 1 d .
C9 C 0.9253(3) 0.4047(3) 0.3855(3) 0.0328(12) Uani 1 1 d .
C10 C 1.0188(3) 0.4265(3) 0.4093(3) 0.0375(14) Uani 1 1 d .
H10 H 1.0499 0.4373 0.4550 0.045 Uiso 1 1 calc R
C11 C 1.0648(3) 0.4319(4) 0.3624(3) 0.0426(15) Uani 1 1 d .
H11 H 1.1275 0.4461 0.3770 0.051 Uiso 1 1 calc R
C12 C 1.0187(3) 0.4164(4) 0.2958(3) 0.0439(15) Uani 1 1 d .
H12 H 1.0489 0.4189 0.2642 0.053 Uiso 1 1 calc R
C13 C 0.9239(3) 0.3964(3) 0.2761(3) 0.0379(13) Uani 1 1 d .
H13 H 0.8913 0.3879 0.2312 0.045 Uiso 1 1 calc R
C14 C 0.6406(3) 0.3932(3) 0.4831(3) 0.0318(12) Uani 1 1 d .
C15 C 0.6214(4) 0.4081(4) 0.5445(3) 0.0474(16) Uani 1 1 d .
H15 H 0.6660 0.4166 0.5852 0.057 Uiso 1 1 calc R
C16 C 0.5309(4) 0.4097(4) 0.5429(3) 0.0574(18) Uani 1 1 d .
H16 H 0.5166 0.4226 0.5837 0.069 Uiso 1 1 calc R
C17 C 0.4663(4) 0.3933(4) 0.4850(3) 0.0522(17) Uani 1 1 d .
H17 H 0.4065 0.3900 0.4843 0.063 Uiso 1 1 calc R
C18 C 0.4897(3) 0.3809(4) 0.4245(3) 0.0443(15) Uani 1 1 d .
H18 H 0.4452 0.3746 0.3844 0.053 Uiso 1 1 calc R
C19 C 0.7687(3) 0.5228(3) 0.4254(3) 0.0305(12) Uani 1 1 d .
C20 C 0.7855(3) 0.5570(3) 0.3768(3) 0.0327(13) Uani 1 1 d .
H20 H 0.7880 0.5239 0.3348 0.039 Uiso 1 1 calc R
C21 C 0.7978(3) 0.6391(4) 0.3922(3) 0.0372(13) Uani 1 1 d .
H21 H 0.8088 0.6615 0.3604 0.045 Uiso 1 1 calc R
C22 C 0.7942(3) 0.6879(4) 0.4533(3) 0.0400(14) Uani 1 1 d .
H22 H 0.8042 0.7436 0.4638 0.048 Uiso 1 1 calc R
C23 C 0.7753(4) 0.6545(4) 0.5003(3) 0.0471(16) Uani 1 1 d .
H23 H 0.7705 0.6880 0.5414 0.057 Uiso 1 1 calc R
C24 C 0.7639(3) 0.5733(4) 0.4868(3) 0.0347(13) Uani 1 1 d .
H24 H 0.7528 0.5519 0.5191 0.042 Uiso 1 1 calc R
C31 C 0.5999(4) 0.1766(4) 0.2775(3) 0.0458(15) Uani 1 1 d .
C32 C 0.6046(4) 0.1524(4) 0.3319(3) 0.0606(19) Uani 1 1 d .
C33 C 0.5262(6) 0.1414(5) 0.3587(4) 0.087(3) Uani 1 1 d .
H33A H 0.5147 0.1941 0.3793 0.105 Uiso 1 1 calc R
H33B H 0.4732 0.1101 0.3203 0.105 Uiso 1 1 calc R
C34 C 0.5378(6) 0.1012(7) 0.4094(4) 0.118(4) Uani 1 1 d .
H34A H 0.5314 0.0437 0.3867 0.142 Uiso 1 1 calc R
H34B H 0.4919 0.1085 0.4323 0.142 Uiso 1 1 calc R
C35 C 0.6347(7) 0.1389(7) 0.4637(4) 0.110(3) Uani 1 1 d .
H35A H 0.6419 0.1969 0.4845 0.132 Uiso 1 1 calc R
H35B H 0.6408 0.1160 0.4995 0.132 Uiso 1 1 calc R
C36 C 0.7061(6) 0.1224(6) 0.4303(4) 0.091(3) Uani 1 1 d .
H36A H 0.7046 0.0649 0.4160 0.110 Uiso 1 1 calc R
H36B H 0.7646 0.1507 0.4634 0.110 Uiso 1 1 calc R
C37 C 0.6944(5) 0.1492(4) 0.3668(3) 0.0626(19) Uani 1 1 d .
C38 C 0.7603(4) 0.1663(4) 0.3393(3) 0.0502(16) Uani 1 1 d .
C39 C 0.8568(4) 0.1645(4) 0.3563(3) 0.0595(19) Uani 1 1 d .
C40 C 0.8939(6) 0.1193(5) 0.3941(4) 0.085(2) Uani 1 1 d .
H40 H 0.8597 0.0890 0.4113 0.102 Uiso 1 1 calc R
C41 C 0.9876(6) 0.1224(6) 0.4048(4) 0.095(3) Uani 1 1 d .
H41 H 1.0164 0.0933 0.4294 0.114 Uiso 1 1 calc R
C42 C 1.0360(5) 0.1687(5) 0.3786(4) 0.075(2) Uani 1 1 d .
H42 H 1.0976 0.1718 0.3868 0.091 Uiso 1 1 calc R
C43 C 0.9944(4) 0.2094(4) 0.3411(3) 0.0597(19) Uani 1 1 d .
H43 H 1.0280 0.2385 0.3227 0.072 Uiso 1 1 calc R
C44 C 0.5196(4) 0.1923(5) 0.2361(3) 0.0533(18) Uani 1 1 d .
C45 C 0.4522(5) 0.1321(5) 0.1820(4) 0.072(2) Uani 1 1 d .
H45 H 0.4570 0.0785 0.1714 0.086 Uiso 1 1 calc R
C46 C 0.3796(4) 0.1502(6) 0.1444(4) 0.075(2) Uani 1 1 d .
H46 H 0.3368 0.1100 0.1070 0.090 Uiso 1 1 calc R
C47 C 0.3707(4) 0.2306(6) 0.1632(3) 0.067(2) Uani 1 1 d .
H47 H 0.3200 0.2446 0.1405 0.080 Uiso 1 1 calc R
C48 C 0.4379(3) 0.2875(4) 0.2152(3) 0.0463(15) Uani 1 1 d .
H48 H 0.4331 0.3412 0.2260 0.056 Uiso 1 1 calc R
C49 C 0.7165(3) 0.1278(4) 0.1921(3) 0.0439(15) Uani 1 1 d .
C50 C 0.7638(3) 0.1515(3) 0.1522(3) 0.0326(12) Uani 1 1 d .
H50 H 0.7920 0.2055 0.1655 0.039 Uiso 1 1 calc R
C51 C 0.7696(3) 0.0963(4) 0.0935(3) 0.0412(14) Uani 1 1 d .
H51 H 0.8014 0.1131 0.0673 0.049 Uiso 1 1 calc R
C52 C 0.7284(4) 0.0163(4) 0.0738(3) 0.0471(15) Uani 1 1 d .
H52 H 0.7340 -0.0217 0.0351 0.057 Uiso 1 1 calc R
C53 C 0.6784(4) -0.0075(4) 0.1118(3) 0.0604(18) Uani 1 1 d .
H53 H 0.6477 -0.0611 0.0970 0.072 Uiso 1 1 calc R
C54 C 0.6733(4) 0.0473(4) 0.1715(3) 0.0563(18) Uani 1 1 d .
H54 H 0.6413 0.0303 0.1976 0.068 Uiso 1 1 calc R
C100 C 0.5420(3) 0.5128(4) 0.2951(3) 0.0385(14) Uani 1 1 d .
C101 C 0.5063(3) 0.5729(4) 0.2746(3) 0.0376(14) Uani 1 1 d .
C102 C 0.5610(4) 0.6467(4) 0.2853(3) 0.0576(19) Uani 1 1 d .
H102 H 0.6221 0.6586 0.3091 0.069 Uiso 1 1 calc R
C103 C 0.4140(3) 0.5584(4) 0.2411(3) 0.0461(15) Uani 1 1 d .
H103 H 0.3762 0.5094 0.2330 0.055 Uiso 1 1 calc R
C104 C 0.5247(4) 0.7014(5) 0.2607(4) 0.073(2) Uani 1 1 d .
H104 H 0.5621 0.7489 0.2650 0.087 Uiso 1 1 calc R
C105 C 0.3793(4) 0.6163(4) 0.2202(4) 0.0599(19) Uani 1 1 d .
H105 H 0.3175 0.6067 0.1992 0.072 Uiso 1 1 calc R
C106 C 0.4323(4) 0.6867(4) 0.2292(3) 0.0494(16) Uani 1 1 d .
C107 C 0.3972(4) 0.7513(4) 0.2052(4) 0.0607(19) Uani 1 1 d .
H107 H 0.4361 0.8018 0.2209 0.073 Uiso 1 1 calc R
C108 C 0.3165(4) 0.7419(4) 0.1639(3) 0.0515(17) Uani 1 1 d .
H108 H 0.2792 0.6904 0.1464 0.062 Uiso 1 1 calc R
C109 C 0.2788(4) 0.8049(4) 0.1426(3) 0.0484(16) Uani 1 1 d .
C110 C 0.3237(4) 0.8858(5) 0.1701(4) 0.069(2) Uani 1 1 d .
H110 H 0.3793 0.9015 0.2038 0.083 Uiso 1 1 calc R
C111 C 0.1941(4) 0.7844(4) 0.0942(3) 0.0558(17) Uani 1 1 d .
H111 H 0.1604 0.7315 0.0770 0.067 Uiso 1 1 calc R
C112 C 0.1597(4) 0.8422(4) 0.0715(3) 0.0495(16) Uani 1 1 d .
H112 H 0.1038 0.8267 0.0381 0.059 Uiso 1 1 calc R
C113 C 0.2874(4) 0.9436(4) 0.1483(4) 0.063(2) Uani 1 1 d .
H113 H 0.3181 0.9975 0.1683 0.075 Uiso 1 1 calc R
C114 C 0.2050(4) 0.9214(4) 0.0965(3) 0.0474(15) Uani 1 1 d .
C115 C 0.1690(3) 0.9794(4) 0.0698(3) 0.0415(14) Uani 1 1 d .
C116 C 0.1403(3) 1.0269(4) 0.0463(3) 0.0386(13) Uani 1 1 d .
C117 C 0.1050(4) 1.0871(4) 0.0211(3) 0.0427(14) Uani 1 1 d .
H11A H 0.0484 1.0603 -0.0151 0.051 Uiso 1 1 calc R
H11B H 0.1468 1.1079 0.0007 0.051 Uiso 1 1 calc R
C118 C 0.0881(4) 1.1608(4) 0.0751(4) 0.0523(17) Uani 1 1 d .
H11C H 0.1453 1.1918 0.1089 0.063 Uiso 1 1 calc R
H11D H 0.0625 1.1957 0.0524 0.063 Uiso 1 1 calc R
C200 C 0.6493(3) 0.4045(4) 0.1800(3) 0.0396(14) Uani 1 1 d .
C201 C 0.5933(3) 0.4444(4) 0.1429(3) 0.0358(13) Uani 1 1 d .
C202 C 0.6240(4) 0.5231(4) 0.1481(3) 0.0526(17) Uani 1 1 d .
H202 H 0.6835 0.5497 0.1726 0.063 Uiso 1 1 calc R
C203 C 0.5043(3) 0.4048(4) 0.1046(3) 0.0420(14) Uani 1 1 d .
H203 H 0.4828 0.3522 0.1014 0.050 Uiso 1 1 calc R
C204 C 0.4470(3) 0.4437(4) 0.0708(3) 0.0439(15) Uani 1 1 d .
H204 H 0.3891 0.4154 0.0429 0.053 Uiso 1 1 calc R
C205 C 0.5667(3) 0.5618(4) 0.1172(3) 0.0476(16) Uani 1 1 d .
H205 H 0.5887 0.6149 0.1218 0.057 Uiso 1 1 calc R
C206 C 0.4760(3) 0.5251(4) 0.0787(3) 0.0367(13) Uani 1 1 d .
C207 C 0.4172(3) 0.5687(4) 0.0473(3) 0.0417(14) Uani 1 1 d .
H207 H 0.4430 0.6208 0.0516 0.050 Uiso 1 1 calc R
C208 C 0.3301(4) 0.5409(4) 0.0129(3) 0.0463(15) Uani 1 1 d .
H208 H 0.3047 0.4888 0.0086 0.056 Uiso 1 1 calc R
C209 C 0.2693(3) 0.5847(4) -0.0194(3) 0.0457(15) Uani 1 1 d .
C210 C 0.2989(3) 0.6592(4) -0.0200(3) 0.0395(14) Uani 1 1 d .
H210 H 0.3600 0.6838 -0.0006 0.047 Uiso 1 1 calc R
C211 C 0.1783(4) 0.5481(5) -0.0505(5) 0.089(3) Uani 1 1 d .
H211 H 0.1575 0.4963 -0.0518 0.107 Uiso 1 1 calc R
C212 C 0.2397(3) 0.6996(4) -0.0489(3) 0.0438(15) Uani 1 1 d .
H212 H 0.2614 0.7512 -0.0477 0.053 Uiso 1 1 calc R
C213 C 0.1172(4) 0.5875(4) -0.0800(4) 0.073(2) Uani 1 1 d .
H213 H 0.0563 0.5624 -0.0996 0.087 Uiso 1 1 calc R
C214 C 0.1476(3) 0.6633(3) -0.0799(3) 0.0369(13) Uani 1 1 d .
C215 C 0.0851(4) 0.7080(3) -0.1091(3) 0.0388(13) Uani 1 1 d .
C216 C 0.0407(4) 0.7437(4) -0.1346(3) 0.0398(14) Uani 1 1 d .
C217 C -0.0079(4) 0.7957(4) -0.1655(3) 0.0489(16) Uani 1 1 d .
H21A H -0.0650 0.7633 -0.1986 0.059 Uiso 1 1 calc .
H21B H 0.0275 0.8176 -0.1895 0.059 Uiso 1 1 calc .
C218 C 0.0255(4) 1.1342(4) 0.1106(4) 0.0571(18) Uani 1 1 d .
H21C H 0.0508 1.0981 0.1321 0.069 Uiso 1 1 calc .
H21D H -0.0316 1.1037 0.0765 0.069 Uiso 1 1 calc .
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'
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_3
N3 Cu1 N100 99.65(19) .
N3 Cu1 N1 111.04(17) .
N100 Cu1 N1 100.79(17) .
N3 Cu1 P1 148.88(14) .
N100 Cu1 P1 103.35(12) .
N1 Cu1 P1 84.99(11) .
N3 Cu1 Cu2 95.98(12) .
N100 Cu1 Cu2 106.17(12) .
N1 Cu1 Cu2 137.70(11) .
P1 Cu1 Cu2 57.61(4) .
N200 Cu2 N2 103.54(17) .
N200 Cu2 P2 119.60(14) .
N2 Cu2 P2 114.86(13) .
N200 Cu2 P1 120.12(13) .
N2 Cu2 P1 83.83(13) .
P2 Cu2 P1 109.14(6) .
N200 Cu2 Cu1 89.15(12) .
N2 Cu2 Cu1 136.17(13) .
P2 Cu2 Cu1 93.05(5) .
P1 Cu2 Cu1 54.32(3) .
C1 P1 C8 90.0(2) .
C1 P1 C19 105.5(2) .
C8 P1 C19 104.4(2) .
C1 P1 Cu1 95.08(16) .
C8 P1 Cu1 148.42(19) .
C19 P1 Cu1 104.21(14) .
C1 P1 Cu2 137.8(2) .
C8 P1 Cu2 87.44(17) .
C19 P1 Cu2 115.93(17) .
Cu1 P1 Cu2 68.07(4) .
C38 P2 C31 90.8(3) .
C38 P2 C49 105.2(3) .
C31 P2 C49 106.2(3) .
C38 P2 Cu2 120.6(2) .
C31 P2 Cu2 108.3(2) .
C49 P2 Cu2 120.8(2) .
C18 N1 C14 118.4(4) .
C18 N1 Cu1 121.0(3) .
C14 N1 Cu1 120.3(3) .
C13 N2 C9 119.6(4) .
C13 N2 Cu2 122.2(3) .
C9 N2 Cu2 117.3(3) .
C48 N3 C44 117.7(5) .
C48 N3 Cu1 120.2(4) .
C44 N3 Cu1 122.0(4) .
C43 N4 C39 118.1(5) .
C100 N100 Cu1 174.3(4) .
C200 N200 Cu2 161.2(4) .
C2 C1 C14 130.7(5) .
C2 C1 P1 111.1(4) .
C14 C1 P1 118.1(4) .
C1 C2 C7 113.3(4) .
C1 C2 C3 126.3(5) .
C7 C2 C3 120.4(4) .
C2 C3 C4 111.7(5) .
C5 C4 C3 118.9(7) .
C4 C5 C6 118.4(7) .
C5 C6 C7 111.9(5) .
C8 C7 C2 113.0(4) .
C8 C7 C6 126.2(5) .
C2 C7 C6 120.7(5) .
C7 C8 C9 130.2(4) .
C7 C8 P1 112.7(4) .
C9 C8 P1 117.1(4) .
N2 C9 C10 121.8(5) .
N2 C9 C8 113.8(4) .
C10 C9 C8 124.4(5) .
C9 C10 C11 118.0(5) .
C12 C11 C10 120.5(5) .
C11 C12 C13 118.0(5) .
N2 C13 C12 122.0(5) .
C15 C14 N1 121.3(4) .
C15 C14 C1 124.7(5) .
N1 C14 C1 114.0(4) .
C14 C15 C16 117.2(5) .
C17 C16 C15 121.8(6) .
C16 C17 C18 118.6(5) .
N1 C18 C17 122.4(5) .
C24 C19 C20 118.8(5) .
C24 C19 P1 122.5(4) .
C20 C19 P1 118.7(4) .
C21 C20 C19 119.8(5) .
C22 C21 C20 120.5(5) .
C21 C22 C23 120.0(6) .
C24 C23 C22 120.8(5) .
C23 C24 C19 120.1(5) .
C32 C31 C44 125.8(6) .
C32 C31 P2 110.0(4) .
C44 C31 P2 123.5(4) .
C31 C32 C37 113.6(6) .
C31 C32 C33 122.8(6) .
C37 C32 C33 123.1(6) .
C34 C33 C32 115.2(8) .
C33 C34 C35 109.2(7) .
C36 C35 C34 110.6(7) .
C35 C36 C37 112.6(8) .
C38 C37 C32 116.8(6) .
C38 C37 C36 126.2(7) .
C32 C37 C36 117.0(7) .
C37 C38 C39 133.3(6) .
C37 C38 P2 108.0(5) .
C39 C38 P2 118.6(5) .
N4 C39 C40 123.2(7) .
N4 C39 C38 114.3(5) .
C40 C39 C38 122.5(7) .
C39 C40 C41 115.6(8) .
C42 C41 C40 120.2(7) .
C43 C42 C41 120.4(7) .
N4 C43 C42 122.5(7) .
N3 C44 C45 119.6(6) .
N3 C44 C31 116.5(5) .
C45 C44 C31 124.0(7) .
C46 C45 C44 121.6(8) .
C45 C46 C47 118.6(6) .
C48 C47 C46 118.2(7) .
C47 C48 N3 124.2(7) .
C54 C49 C50 119.1(6) .
C54 C49 P2 121.4(5) .
C50 C49 P2 119.5(4) .
C51 C50 C49 121.1(5) .
C50 C51 C52 119.8(6) .
C51 C52 C53 119.5(6) .
C52 C53 C54 121.0(6) .
C53 C54 C49 119.3(6) .
N100 C100 C101 177.9(6) .
C102 C101 C103 118.5(5) .
C102 C101 C100 121.7(5) .
C103 C101 C100 119.8(6) .
C104 C102 C101 120.0(5) .
C105 C103 C101 119.9(6) .
C102 C104 C106 120.5(7) .
C106 C105 C103 121.5(5) .
C105 C106 C104 119.4(6) .
C105 C106 C107 123.4(5) .
C104 C106 C107 117.2(6) .
C108 C107 C106 125.2(6) .
C107 C108 C109 126.4(6) .
C110 C109 C111 117.5(5) .
C110 C109 C108 122.7(5) .
C111 C109 C108 119.8(6) .
C113 C110 C109 121.4(6) .
C112 C111 C109 120.4(6) .
C114 C112 C111 122.3(6) .
C110 C113 C114 120.5(7) .
C112 C114 C113 117.7(6) .
C112 C114 C115 120.9(5) .
C113 C114 C115 121.4(6) .
C116 C115 C114 178.2(6) .
C115 C116 C117 177.1(6) .
C116 C117 C118 116.4(5) .
C218 C118 C117 111.9(5) .
N200 C200 C201 176.8(6) .
C202 C201 C203 119.2(5) .
C202 C201 C200 121.4(5) .
C203 C201 C200 119.3(5) .
C205 C202 C201 120.0(5) .
C201 C203 C204 120.4(6) .
C203 C204 C206 120.7(5) .
C202 C205 C206 123.1(6) .
C204 C206 C205 116.3(5) .
C204 C206 C207 122.4(5) .
C205 C206 C207 121.3(5) .
C208 C207 C206 125.9(6) .
C207 C208 C209 126.5(6) .
C210 C209 C211 118.4(5) .
C210 C209 C208 122.5(5) .
C211 C209 C208 119.1(6) .
C209 C210 C212 121.1(5) .
C209 C211 C213 121.6(6) .
C210 C212 C214 120.8(5) .
C214 C213 C211 119.7(6) .
C213 C214 C212 118.4(5) .
C213 C214 C215 121.5(5) .
C212 C214 C215 120.1(5) .
C216 C215 C214 175.0(6) .
C215 C216 C217 174.2(6) .
C216 C217 C218 111.5(5) 2_575
C118 C218 C217 114.1(6) 2_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 2.038(5) .
Cu1 N100 2.049(5) .
Cu1 N1 2.057(4) .
Cu1 P1 2.3047(14) .
Cu1 Cu2 2.6319(11) .
Cu2 N200 1.991(4) .
Cu2 N2 2.055(4) .
Cu2 P2 2.2517(18) .
Cu2 P1 2.3958(15) .
P1 C1 1.799(5) .
P1 C8 1.819(5) .
P1 C19 1.845(6) .
P2 C38 1.820(6) .
P2 C31 1.826(6) .
P2 C49 1.837(6) .
N1 C18 1.339(6) .
N1 C14 1.382(6) .
N2 C13 1.333(6) .
N2 C9 1.338(6) .
N3 C48 1.364(7) .
N3 C44 1.368(8) .
N4 C43 1.341(8) .
N4 C39 1.389(8) .
N100 C100 1.196(7) .
N200 C200 1.144(6) .
C1 C2 1.388(7) .
C1 C14 1.463(7) .
C2 C7 1.486(7) .
C2 C3 1.506(7) .
C3 C4 1.539(9) .
C4 C5 1.342(11) .
C5 C6 1.461(9) .
C6 C7 1.509(7) .
C7 C8 1.340(7) .
C8 C9 1.515(7) .
C9 C10 1.387(7) .
C10 C11 1.398(7) .
C11 C12 1.358(8) .
C12 C13 1.406(7) .
C14 C15 1.385(7) .
C15 C16 1.417(8) .
C16 C17 1.317(8) .
C17 C18 1.402(8) .
C19 C24 1.379(7) .
C19 C20 1.423(7) .
C20 C21 1.374(8) .
C21 C22 1.356(8) .
C22 C23 1.394(8) .
C23 C24 1.364(8) .
C31 C32 1.357(8) .
C31 C44 1.465(8) .
C32 C37 1.441(9) .
C32 C33 1.500(9) .
C33 C34 1.465(12) .
C34 C35 1.581(12) .
C35 C36 1.489(12) .
C36 C37 1.558(9) .
C37 C38 1.361(9) .
C38 C39 1.475(9) .
C39 C40 1.392(10) .
C40 C41 1.423(12) .
C41 C42 1.384(11) .
C42 C43 1.349(9) .
C44 C45 1.398(8) .
C45 C46 1.361(10) .
C46 C47 1.400(11) .
C47 C48 1.355(8) .
C49 C54 1.386(8) .
C49 C50 1.389(8) .
C50 C51 1.375(8) .
C51 C52 1.373(8) .
C52 C53 1.383(8) .
C53 C54 1.383(9) .
C100 C101 1.406(8) .
C101 C102 1.394(8) .
C101 C103 1.399(7) .
C102 C104 1.365(9) .
C103 C105 1.367(8) .
C104 C106 1.392(8) .
C105 C106 1.344(9) .
C106 C107 1.511(8) .
C107 C108 1.311(8) .
C108 C109 1.474(8) .
C109 C110 1.389(9) .
C109 C111 1.393(8) .
C110 C113 1.385(9) .
C111 C112 1.381(8) .
C112 C114 1.369(9) .
C113 C114 1.396(8) .
C114 C115 1.440(8) .
C115 C116 1.192(7) .
C116 C117 1.455(8) .
C117 C118 1.565(8) .
C118 C218 1.500(9) .
C200 C201 1.441(7) .
C201 C202 1.384(8) .
C201 C203 1.395(7) .
C202 C205 1.366(8) .
C203 C204 1.401(7) .
C204 C206 1.407(8) .
C205 C206 1.409(7) .
C206 C207 1.453(7) .
C207 C208 1.326(7) .
C208 C209 1.482(7) .
C209 C210 1.354(8) .
C209 C211 1.389(8) .
C210 C212 1.388(7) .
C211 C213 1.399(9) .
C212 C214 1.403(7) .
C213 C214 1.372(8) .
C214 C215 1.481(7) .
C215 C216 1.153(7) .
C216 C217 1.478(8) .
C217 C218 1.543(9) 2_575
C218 C217 1.543(9) 2_575
