#------------------------------------------------------------------------------
#$Date: 2019-11-23 18:41:55 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234482 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/50/7125065.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_7125065
loop_
_publ_author_name
'El Sayed Moussa, M.'
'Evariste, S.'
'Wong, H.-L.'
'Le Bras, L.'
'Roiland, C.'
'Le Polles, L.'
'Le Guennic, B.'
'Costuas, K.'
'Yam, V. W.-W.'
'Lescop, C.'
_publ_section_title
;
 A solid state highly emissive Cu(i) metallacycle: promotion of
 cuprophilic interactions at the excited states.
;
_journal_issue                   76
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11370
_journal_page_last               11373
_journal_paper_doi               10.1039/c6cc06613e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C102 H88 Cl0 Cu4 F12 N2 P10'
_chemical_formula_sum            'C102 H88 Cl0 Cu4 F12 N2 P10'
_chemical_formula_weight         2133.60
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-13 deposited with the CCDC.
2016-08-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.550(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.935(3)
_cell_length_b                   20.745(5)
_cell_length_c                   19.086(4)
_cell_measurement_reflns_used    8391
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.24
_cell_volume                     5424(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36513
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    0.985
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.327
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       0.0018(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   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         11128
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0561
_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)+(0.1072P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1587
_refine_ls_wR_factor_ref         0.1701
_reflns_number_gt                7939
_reflns_number_total             11128
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc06613e2.cif
_cod_data_source_block           sq
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7125065
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_group
Cu1 Cu 0.50523(3) 0.14879(2) 0.58468(2) 0.02851(14) Uani 1 1 d . .
Cu2 Cu 0.37431(3) 0.05302(2) 0.51349(2) 0.03067(14) Uani 1 1 d . .
P1 P 0.44993(7) 0.15031(4) 0.68832(5) 0.0279(2) Uani 1 1 d . .
P2 P 0.33398(7) 0.03428(4) 0.62153(5) 0.0280(2) Uani 1 1 d . .
P3 P 0.50486(7) 0.22010(4) 0.49496(5) 0.0286(2) Uani 1 1 d . .
P4 P 0.32230(7) 0.13824(4) 0.44305(5) 0.0281(2) Uani 1 1 d . .
C100 C 0.392(2) -0.0264(15) 0.4616(16) 0.028(9) Uiso 0.27(4) 1 d P 1
N100 N 0.5785(15) 0.0753(8) 0.5613(11) 0.020(5) Uiso 0.27(4) 1 d P 1
N101 N 0.4019(7) -0.0290(5) 0.4693(5) 0.032(3) Uiso 0.73(4) 1 d P 2
C101 C 0.5631(7) 0.0719(4) 0.5513(5) 0.030(2) Uiso 0.73(4) 1 d P 2
C1 C 0.4206(3) 0.22814(18) 0.7239(2) 0.0348(8) Uani 1 1 d . .
C2 C 0.3408(4) 0.2629(2) 0.6898(3) 0.0509(11) Uani 1 1 d . .
H2 H 0.2983 0.2448 0.6516 0.061 Uiso 1 1 calc R .
C3 C 0.3240(4) 0.3255(2) 0.7128(3) 0.0666(14) Uani 1 1 d . .
H3 H 0.2701 0.3488 0.6902 0.080 Uiso 1 1 calc R .
C4 C 0.3867(4) 0.3517(2) 0.7681(3) 0.0673(15) Uani 1 1 d . .
H4 H 0.3750 0.3931 0.7833 0.081 Uiso 1 1 calc R .
C5 C 0.4658(4) 0.3192(2) 0.8017(3) 0.0580(13) Uani 1 1 d . .
H5 H 0.5085 0.3382 0.8392 0.070 Uiso 1 1 calc R .
C6 C 0.4828(3) 0.2569(2) 0.7798(2) 0.0453(10) Uani 1 1 d . .
H6 H 0.5370 0.2344 0.8031 0.054 Uiso 1 1 calc R .
C7 C 0.5316(3) 0.11424(18) 0.7626(2) 0.0354(8) Uani 1 1 d . .
C8 C 0.6302(3) 0.1114(2) 0.7603(2) 0.0485(11) Uani 1 1 d . .
H8 H 0.6524 0.1270 0.7205 0.058 Uiso 1 1 calc R .
C9 C 0.6958(4) 0.0858(3) 0.8161(3) 0.0649(14) Uani 1 1 d . .
H9 H 0.7622 0.0859 0.8148 0.078 Uiso 1 1 calc R .
C10 C 0.6630(4) 0.0601(3) 0.8739(3) 0.0681(15) Uani 1 1 d . .
H10 H 0.7070 0.0417 0.9110 0.082 Uiso 1 1 calc R .
C11 C 0.5647(4) 0.0617(3) 0.8768(3) 0.0644(14) Uani 1 1 d . .
H11 H 0.5425 0.0440 0.9157 0.077 Uiso 1 1 calc R .
C12 C 0.4994(3) 0.0895(2) 0.8221(2) 0.0494(11) Uani 1 1 d . .
H12 H 0.4336 0.0917 0.8249 0.059 Uiso 1 1 calc R .
C13 C 0.3342(3) 0.10561(18) 0.6790(2) 0.0339(8) Uani 1 1 d . .
H13A H 0.2807 0.1338 0.6588 0.041 Uiso 1 1 calc R .
H13B H 0.3240 0.0921 0.7257 0.041 Uiso 1 1 calc R .
C14 C 0.40164(17) -0.02636(13) 0.67922(16) 0.0374(9) Uani 1 1 d G .
C15 C 0.50240(18) -0.02909(15) 0.68467(16) 0.0561(13) Uani 1 1 d G .
H15 H 0.5336 -0.0008 0.6584 0.067 Uiso 1 1 calc R .
C16 C 0.55647(17) -0.07412(17) 0.72933(18) 0.0647(14) Uani 1 1 d G .
H16 H 0.6239 -0.0759 0.7330 0.078 Uiso 1 1 calc R .
C17 C 0.5098(3) -0.11643(16) 0.7685(2) 0.084(2) Uani 1 1 d G .
H17 H 0.5460 -0.1466 0.7984 0.100 Uiso 1 1 calc R .
C18 C 0.4090(3) -0.1137(2) 0.7631(3) 0.201(7) Uani 1 1 d G .
H18 H 0.3778 -0.1420 0.7893 0.242 Uiso 1 1 calc R .
C19 C 0.35495(17) -0.0687(2) 0.7184(2) 0.140(4) Uani 1 1 d G .
H19 H 0.2875 -0.0668 0.7148 0.167 Uiso 1 1 calc R .
C20 C 0.2083(2) 0.00563(17) 0.60760(19) 0.0304(8) Uani 1 1 d . .
C21 C 0.1348(3) 0.0335(2) 0.6392(2) 0.0396(9) Uani 1 1 d . .
H21 H 0.1492 0.0681 0.6703 0.047 Uiso 1 1 calc R .
C22 C 0.0410(3) 0.0092(2) 0.6237(3) 0.0474(11) Uani 1 1 d . .
H22 H -0.0080 0.0280 0.6440 0.057 Uiso 1 1 calc R .
C23 C 0.0196(3) -0.0421(2) 0.5791(3) 0.0487(11) Uani 1 1 d . .
H23 H -0.0437 -0.0583 0.5696 0.058 Uiso 1 1 calc R .
C24 C 0.0914(3) -0.0704(2) 0.5474(2) 0.0475(11) Uani 1 1 d . .
H24 H 0.0763 -0.1052 0.5166 0.057 Uiso 1 1 calc R .
C25 C 0.1845(3) -0.04681(18) 0.5619(2) 0.0378(9) Uani 1 1 d . .
H25 H 0.2326 -0.0659 0.5410 0.045 Uiso 1 1 calc R .
C31 C 0.4721(3) 0.30471(17) 0.4999(2) 0.0335(8) Uani 1 1 d . .
C32 C 0.4588(3) 0.3456(2) 0.4412(2) 0.0437(10) Uani 1 1 d . .
H32 H 0.4666 0.3300 0.3969 0.052 Uiso 1 1 calc R .
C33 C 0.4341(3) 0.4092(2) 0.4490(3) 0.0546(12) Uani 1 1 d . .
H33 H 0.4248 0.4364 0.4096 0.066 Uiso 1 1 calc R .
C34 C 0.4233(3) 0.4328(2) 0.5141(3) 0.0571(13) Uani 1 1 d . .
H34 H 0.4069 0.4759 0.5186 0.068 Uiso 1 1 calc R .
C35 C 0.4364(4) 0.3933(2) 0.5729(3) 0.0587(13) Uani 1 1 d . .
H35 H 0.4285 0.4094 0.6170 0.070 Uiso 1 1 calc R .
C36 C 0.4617(3) 0.3289(2) 0.5660(2) 0.0421(9) Uani 1 1 d . .
H36 H 0.4717 0.3020 0.6057 0.051 Uiso 1 1 calc R .
C37 C 0.6199(3) 0.22403(18) 0.4627(2) 0.0332(8) Uani 1 1 d . .
C38 C 0.6264(3) 0.2370(3) 0.3922(2) 0.0603(14) Uani 1 1 d . .
H38 H 0.5699 0.2415 0.3580 0.072 Uiso 1 1 calc R .
C39 C 0.7168(4) 0.2431(3) 0.3731(3) 0.0786(18) Uani 1 1 d . .
H39 H 0.7207 0.2518 0.3259 0.094 Uiso 1 1 calc R .
C40 C 0.8002(4) 0.2366(3) 0.4224(3) 0.0665(15) Uani 1 1 d . .
H40 H 0.8607 0.2408 0.4088 0.080 Uiso 1 1 calc R .
C41 C 0.7951(3) 0.2241(2) 0.4910(3) 0.0572(13) Uani 1 1 d . .
H41 H 0.8524 0.2200 0.5244 0.069 Uiso 1 1 calc R .
C42 C 0.7063(3) 0.2173(2) 0.5123(2) 0.0417(10) Uani 1 1 d . .
H42 H 0.7039 0.2083 0.5597 0.050 Uiso 1 1 calc R .
C43 C 0.4188(3) 0.18848(18) 0.41754(19) 0.0314(8) Uani 1 1 d . .
H43A H 0.3891 0.2244 0.3890 0.038 Uiso 1 1 calc R .
H43B H 0.4548 0.1632 0.3883 0.038 Uiso 1 1 calc R .
C44 C 0.2382(3) 0.19211(17) 0.4772(2) 0.0324(8) Uani 1 1 d . .
C45 C 0.1750(3) 0.16443(19) 0.5175(2) 0.0358(9) Uani 1 1 d . .
H45 H 0.1789 0.1204 0.5266 0.043 Uiso 1 1 calc R .
C46 C 0.1073(3) 0.2005(2) 0.5439(3) 0.0507(11) Uani 1 1 d . .
H46 H 0.0653 0.1807 0.5700 0.061 Uiso 1 1 calc R .
C47 C 0.1012(4) 0.2661(3) 0.5318(3) 0.0680(15) Uani 1 1 d . .
H47 H 0.0559 0.2907 0.5503 0.082 Uiso 1 1 calc R .
C48 C 0.1625(4) 0.2952(2) 0.4923(3) 0.0713(16) Uani 1 1 d . .
H48 H 0.1589 0.3394 0.4845 0.086 Uiso 1 1 calc R .
C49 C 0.2308(3) 0.2578(2) 0.4636(3) 0.0521(12) Uani 1 1 d . .
H49 H 0.2707 0.2772 0.4357 0.063 Uiso 1 1 calc R .
C50 C 0.2517(2) 0.11476(19) 0.3557(2) 0.0335(8) Uani 1 1 d . .
C51 C 0.2190(3) 0.05175(19) 0.3459(2) 0.0400(9) Uani 1 1 d . .
H51 H 0.2319 0.0224 0.3833 0.048 Uiso 1 1 calc R .
C52 C 0.1667(3) 0.0324(2) 0.2796(3) 0.0524(12) Uani 1 1 d . .
H52 H 0.1446 -0.0098 0.2730 0.063 Uiso 1 1 calc R .
C53 C 0.1481(3) 0.0751(3) 0.2251(2) 0.0570(13) Uani 1 1 d . .
H53 H 0.1140 0.0617 0.1810 0.068 Uiso 1 1 calc R .
C54 C 0.1792(3) 0.1382(2) 0.2342(2) 0.0535(12) Uani 1 1 d . .
H54 H 0.1661 0.1671 0.1964 0.064 Uiso 1 1 calc R .
C55 C 0.2303(3) 0.1582(2) 0.3001(2) 0.0416(10) Uani 1 1 d . .
H55 H 0.2500 0.2010 0.3068 0.050 Uiso 1 1 calc R .
F1 F 0.4166(5) 0.2707(2) 0.2702(2) 0.161(3) Uani 1 1 d . .
F2 F 0.4056(5) 0.25553(17) 0.1555(2) 0.145(2) Uani 1 1 d . .
F3 F 0.3029(3) 0.3223(5) 0.1845(3) 0.225(4) Uani 1 1 d . .
F4 F 0.4224(5) 0.3565(2) 0.1411(2) 0.159(2) Uani 1 1 d . .
F5 F 0.4205(4) 0.37640(18) 0.2569(2) 0.1234(17) Uani 1 1 d . .
P100 P 0.40990(10) 0.31548(6) 0.20597(7) 0.0565(3) Uani 1 1 d . .
F6 F 0.5237(4) 0.3117(4) 0.2226(3) 0.188(3) 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'
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'
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
N100 Cu1 C101 7.9(6) .
N100 Cu1 P1 119.6(5) .
C101 Cu1 P1 121.9(2) .
N100 Cu1 P3 105.6(5) .
C101 Cu1 P3 103.4(2) .
P1 Cu1 P3 134.62(4) .
N100 Cu1 Cu2 70.2(7) .
C101 Cu1 Cu2 62.8(3) .
P1 Cu1 Cu2 97.80(3) .
P3 Cu1 Cu2 100.45(3) .
C100 Cu2 N101 5.5(10) .
C100 Cu2 P4 114.4(9) .
N101 Cu2 P4 119.2(3) .
C100 Cu2 P2 113.0(9) .
N101 Cu2 P2 110.0(3) .
P4 Cu2 P2 124.71(4) .
C100 Cu2 Cu1 134.0(9) .
N101 Cu2 Cu1 130.2(3) .
P4 Cu2 Cu1 81.18(3) .
P2 Cu2 Cu1 85.98(3) .
C7 P1 C1 103.05(18) .
C7 P1 C13 106.36(18) .
C1 P1 C13 103.28(17) .
C7 P1 Cu1 114.54(13) .
C1 P1 Cu1 118.37(13) .
C13 P1 Cu1 110.04(12) .
C14 P2 C20 103.92(15) .
C14 P2 C13 104.55(17) .
C20 P2 C13 104.24(17) .
C14 P2 Cu2 118.82(11) .
C20 P2 Cu2 108.35(12) .
C13 P2 Cu2 115.47(13) .
C31 P3 C37 102.65(17) .
C31 P3 C43 104.60(17) .
C37 P3 C43 103.19(17) .
C31 P3 Cu1 123.85(13) .
C37 P3 Cu1 113.89(13) .
C43 P3 Cu1 106.56(12) .
C44 P4 C43 107.26(18) .
C44 P4 C50 102.36(16) .
C43 P4 C50 101.90(17) .
C44 P4 Cu2 115.09(13) .
C43 P4 Cu2 115.54(13) .
C50 P4 Cu2 113.09(13) .
N100 C100 Cu2 166(2) 3_656
C100 N100 Cu1 168(2) 3_656
C101 N101 Cu2 165.7(9) 3_656
N101 C101 Cu1 177.6(9) 3_656
C6 C1 C2 118.4(4) .
C6 C1 P1 121.2(3) .
C2 C1 P1 120.0(3) .
C1 C2 C3 120.0(5) .
C4 C3 C2 119.6(5) .
C5 C4 C3 121.5(4) .
C4 C5 C6 119.4(5) .
C1 C6 C5 121.1(5) .
C8 C7 C12 118.7(4) .
C8 C7 P1 118.6(3) .
C12 C7 P1 122.8(3) .
C9 C8 C7 120.9(4) .
C10 C9 C8 119.9(5) .
C9 C10 C11 120.1(4) .
C12 C11 C10 120.0(5) .
C11 C12 C7 120.4(4) .
P1 C13 P2 111.64(19) .
C15 C14 C19 120.0 .
C15 C14 P2 118.58(16) .
C19 C14 P2 121.41(16) .
C14 C15 C16 120.0 .
C17 C16 C15 120.0 .
C18 C17 C16 120.0 .
C17 C18 C19 120.0 .
C18 C19 C14 120.0 .
C25 C20 C21 118.7(3) .
C25 C20 P2 117.3(3) .
C21 C20 P2 124.1(3) .
C22 C21 C20 119.6(4) .
C23 C22 C21 120.6(4) .
C22 C23 C24 120.6(4) .
C25 C24 C23 119.5(4) .
C24 C25 C20 121.0(4) .
C32 C31 C36 119.4(4) .
C32 C31 P3 122.9(3) .
C36 C31 P3 117.6(3) .
C33 C32 C31 119.7(4) .
C34 C33 C32 120.7(4) .
C33 C34 C35 120.5(4) .
C34 C35 C36 119.5(5) .
C31 C36 C35 120.1(4) .
C38 C37 C42 118.4(4) .
C38 C37 P3 123.5(3) .
C42 C37 P3 118.0(3) .
C39 C38 C37 119.8(4) .
C40 C39 C38 120.9(5) .
C41 C40 C39 119.9(4) .
C40 C41 C42 121.0(4) .
C41 C42 C37 119.9(4) .
P4 C43 P3 112.93(19) .
C49 C44 C45 118.3(4) .
C49 C44 P4 124.5(3) .
C45 C44 P4 117.2(3) .
C46 C45 C44 121.7(4) .
C45 C46 C47 120.1(5) .
C48 C47 C46 119.9(4) .
C47 C48 C49 120.1(5) .
C44 C49 C48 120.0(4) .
C55 C50 C51 119.5(4) .
C55 C50 P4 121.8(3) .
C51 C50 P4 118.7(3) .
C50 C51 C52 119.8(4) .
C53 C52 C51 120.1(4) .
C52 C53 C54 120.8(4) .
C53 C54 C55 119.6(5) .
C50 C55 C54 120.1(4) .
F3 P100 F1 101.0(4) .
F3 P100 F4 89.0(4) .
F1 P100 F4 169.5(4) .
F3 P100 F6 175.0(4) .
F1 P100 F6 84.0(4) .
F4 P100 F6 86.0(4) .
F3 P100 F2 89.0(4) .
F1 P100 F2 90.0(3) .
F4 P100 F2 86.7(2) .
F6 P100 F2 90.4(3) .
F3 P100 F5 94.0(3) .
F1 P100 F5 90.4(3) .
F4 P100 F5 92.4(2) .
F6 P100 F5 86.5(3) .
F2 P100 F5 176.8(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N100 1.932(17) .
Cu1 C101 1.947(9) .
Cu1 P1 2.2507(11) .
Cu1 P3 2.2621(11) .
Cu1 Cu2 2.8662(7) .
Cu2 C100 1.96(3) .
Cu2 N101 1.969(10) .
Cu2 P4 2.2587(11) .
Cu2 P2 2.2679(11) .
P1 C7 1.809(4) .
P1 C1 1.827(4) .
P1 C13 1.840(4) .
P2 C14 1.818(2) .
P2 C20 1.822(4) .
P2 C13 1.841(4) .
P3 C31 1.821(4) .
P3 C37 1.822(4) .
P3 C43 1.844(4) .
P4 C44 1.824(4) .
P4 C43 1.837(4) .
P4 C50 1.839(4) .
C100 N100 1.21(3) 3_656
N100 C100 1.21(3) 3_656
N101 C101 1.119(12) 3_656
C101 N101 1.119(12) 3_656
C1 C6 1.381(6) .
C1 C2 1.384(6) .
C2 C3 1.405(6) .
C3 C4 1.356(8) .
C4 C5 1.349(8) .
C5 C6 1.391(6) .
C7 C8 1.384(6) .
C7 C12 1.393(6) .
C8 C9 1.378(6) .
C9 C10 1.375(8) .
C10 C11 1.382(8) .
C11 C12 1.380(6) .
C14 C15 1.3900 .
C14 C19 1.3900 .
C15 C16 1.3900 .
C16 C17 1.3900 .
C17 C18 1.3900 .
C18 C19 1.3900 .
C20 C25 1.396(5) .
C20 C21 1.404(5) .
C21 C22 1.382(6) .
C22 C23 1.361(6) .
C23 C24 1.391(7) .
C24 C25 1.365(6) .
C31 C32 1.389(6) .
C31 C36 1.389(6) .
C32 C33 1.380(6) .
C33 C34 1.370(7) .
C34 C35 1.375(7) .
C35 C36 1.394(6) .
C37 C38 1.391(6) .
C37 C42 1.395(5) .
C38 C39 1.379(7) .
C39 C40 1.363(8) .
C40 C41 1.349(7) .
C41 C42 1.380(6) .
C44 C49 1.387(5) .
C44 C45 1.395(5) .
C45 C46 1.371(6) .
C46 C47 1.381(7) .
C47 C48 1.376(8) .
C48 C49 1.413(7) .
C50 C55 1.383(6) .
C50 C51 1.386(5) .
C51 C52 1.399(6) .
C52 C53 1.355(7) .
C53 C54 1.379(7) .
C54 C55 1.391(6) .
F1 P100 1.526(4) .
F2 P100 1.567(4) .
F3 P100 1.479(4) .
F4 P100 1.538(4) .
F5 P100 1.585(4) .
P100 F6 1.561(5) .
