#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/21/2202122.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2202122
loop_
_publ_author_name
'Zhou, Jian-Liang'
'Li, Yi-Zhi'
'Zheng, He-Gen'
'Xin, Xin-Quan'
'Xu, Lin-Lin'
_publ_section_title
;Di-μ₃-bromo-dibromotetrakis[μ-diphenyl(2-pyridyl)phosphine)]tetracopper(I)
 dichloromethane hexasolvate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m176
_journal_page_last               m178
_journal_paper_doi               10.1107/S1600536803005725
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Cu4 Br4 (C17 H14 N P)4], 6C H2 Cl2'
_chemical_formula_moiety         'C68 H56 Br4 Cu4 N4 P4, 6C H2 Cl2'
_chemical_formula_sum            'C74 H68 Br4 Cl12 Cu4 N4 P4'
_chemical_formula_weight         2136.40
_chemical_name_systematic
;Di-μ₃-bromo-dibromotetrakis[μ-diphenyl(2-pyridyl)phosphine)]tetracopper(I)
hexakisdichloromethane
 solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 104.850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.8180(10)
_cell_length_b                   17.793(2)
_cell_length_c                   19.292(2)
_cell_measurement_reflns_used    3951
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.15
_cell_measurement_theta_min      2.18
_cell_volume                     4584.8(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Bruker SMART CCD area-detector'
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0068
_diffrn_reflns_av_sigmaI/netI    0.0103
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23308
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    3.118
_exptl_absorpt_correction_T_max  0.534
_exptl_absorpt_correction_T_min  0.476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       strip
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.641
_refine_diff_density_min         -0.735
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8072
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0319
_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)+(0.12P)²+1.99P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1548
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                6838
_reflns_number_total             8072
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ob6225.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2202122
_cod_database_fobs_code          2202122
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Cu1 0.91632(5) 0.44876(3) 0.43243(3) 0.06064(18) Uani d . 1 . . Cu
Cu2 0.98400(5) 0.30401(3) 0.42525(3) 0.06069(18) Uani d . 1 . . Cu
Br1 1.08113(4) 0.40829(3) 0.50636(2) 0.06077(16) Uani d . 1 . . Br
Br2 1.10391(4) 0.19858(3) 0.43650(2) 0.06145(16) Uani d . 1 . . Br
P1 0.78981(10) 0.39748(7) 0.46157(7) 0.0610(3) Uani d . 1 . . P
P2 0.94083(10) 0.33349(7) 0.30991(7) 0.0605(3) Uani d . 1 . . P
N1 0.9154(3) 0.4820(2) 0.3305(2) 0.0592(9) Uani d . 1 . . N
C1 0.9241(3) 0.4292(3) 0.2794(2) 0.0559(10) Uani d . 1 . . C
C2 0.9216(4) 0.4516(3) 0.2101(3) 0.0592(11) Uani d . 1 . . C
H2 0.9264 0.4160 0.1758 0.071 Uiso calc R 1 . . H
C3 0.9118(4) 0.5278(3) 0.1919(3) 0.0624(11) Uani d . 1 . . C
H3 0.9111 0.5432 0.1457 0.075 Uiso calc R 1 . . H
C4 0.9032(4) 0.5805(3) 0.2430(3) 0.0593(11) Uani d . 1 . . C
H4 0.8961 0.6312 0.2309 0.071 Uiso calc R 1 . . H
C5 0.9052(4) 0.5579(3) 0.3119(2) 0.0608(11) Uani d . 1 . . C
H5 0.8996 0.5934 0.3460 0.073 Uiso calc R 1 . . H
C6 0.8176(4) 0.2897(3) 0.2652(3) 0.0605(12) Uani d . 1 . . C
C7 0.7389(4) 0.3288(3) 0.2218(2) 0.0583(11) Uani d . 1 . . C
H7 0.7456 0.3796 0.2128 0.070 Uiso calc R 1 . . H
C8 0.6490(4) 0.2915(2) 0.1913(3) 0.0590(11) Uani d . 1 . . C
H8 0.5955 0.3173 0.1617 0.071 Uiso calc R 1 . . H
C9 0.6402(4) 0.2155(3) 0.2056(3) 0.0611(13) Uani d . 1 . . C
H9 0.5804 0.1906 0.1857 0.073 Uiso calc R 1 . . H
C10 0.7184(4) 0.1772(3) 0.2487(3) 0.0598(12) Uani d . 1 . . C
H10 0.7116 0.1264 0.2575 0.072 Uiso calc R 1 . . H
C11 0.8085(4) 0.2140(3) 0.2795(3) 0.0605(12) Uani d . 1 . . C
H11 0.8616 0.1880 0.3092 0.073 Uiso calc R 1 . . H
C12 1.0210(4) 0.2975(2) 0.2556(3) 0.0584(11) Uani d . 1 . . C
C13 0.9849(4) 0.2670(2) 0.1868(3) 0.0592(12) Uani d . 1 . . C
H13 0.9164 0.2611 0.1675 0.071 Uiso calc R 1 . . H
C14 1.0522(4) 0.2457(2) 0.1477(3) 0.0617(12) Uani d . 1 . . C
H14 1.0288 0.2249 0.1023 0.074 Uiso calc R 1 . . H
C15 1.1542(4) 0.2555(2) 0.1767(3) 0.0595(12) Uani d . 1 . . C
H15 1.1991 0.2417 0.1504 0.071 Uiso calc R 1 . . H
C16 1.1895(4) 0.2859(3) 0.2447(3) 0.0606(12) Uani d . 1 . . C
H16 1.2579 0.2923 0.2639 0.073 Uiso calc R 1 . . H
C17 1.1229(4) 0.3068(2) 0.2842(3) 0.0622(12) Uani d . 1 . . C
H17 1.1467 0.3271 0.3299 0.075 Uiso calc R 1 . . H
N2 0.8725(3) 0.2610(2) 0.4702(2) 0.0610(9) Uani d . 1 . . N
C18 0.7972(4) 0.3037(3) 0.4872(3) 0.0610(11) Uani d . 1 . . C
C19 0.7295(4) 0.2701(3) 0.5194(2) 0.0610(11) Uani d . 1 . . C
H19 0.6789 0.2987 0.5303 0.073 Uiso calc R 1 . . H
C20 0.7367(4) 0.1935(2) 0.5355(3) 0.0612(12) Uani d . 1 . . C
H20 0.6916 0.1711 0.5575 0.073 Uiso calc R 1 . . H
C21 0.8119(4) 0.1509(3) 0.5185(3) 0.0598(12) Uani d . 1 . . C
H21 0.8170 0.0998 0.5289 0.072 Uiso calc R 1 . . H
C22 0.8795(4) 0.1850(2) 0.4858(3) 0.0583(11) Uani d . 1 . . C
H22 0.9297 0.1565 0.4745 0.070 Uiso calc R 1 . . H
C23 0.7594(4) 0.4442(3) 0.5409(3) 0.0616(11) Uani d . 1 . . C
C24 0.8323(4) 0.4646(2) 0.6013(3) 0.0600(12) Uani d . 1 . . C
H24 0.8993 0.4554 0.6037 0.072 Uiso calc R 1 . . H
C25 0.8058(4) 0.4991(3) 0.6588(3) 0.0622(13) Uani d . 1 . . C
H25 0.8551 0.5128 0.6994 0.075 Uiso calc R 1 . . H
C26 0.7055(4) 0.5129(2) 0.6551(3) 0.0582(11) Uani d . 1 . . C
H26 0.6878 0.5358 0.6934 0.070 Uiso calc R 1 . . H
C27 0.6319(4) 0.4925(3) 0.5945(3) 0.0617(12) Uani d . 1 . . C
H27 0.5650 0.5018 0.5922 0.074 Uiso calc R 1 . . H
C28 0.6583(4) 0.4581(3) 0.5370(3) 0.0591(12) Uani d . 1 . . C
H28 0.6090 0.4445 0.4963 0.071 Uiso calc R 1 . . H
C29 0.6754(4) 0.4042(3) 0.3907(3) 0.0622(11) Uani d . 1 . . C
C30 0.6107(4) 0.3434(3) 0.3693(3) 0.0632(11) Uani d . 1 . . C
H30 0.6250 0.2975 0.3927 0.076 Uiso calc R 1 . . H
C31 0.5254(4) 0.3508(3) 0.3134(3) 0.0629(11) Uani d . 1 . . C
H31 0.4829 0.3100 0.2990 0.076 Uiso calc R 1 . . H
C32 0.5035(4) 0.4199(3) 0.2789(3) 0.0621(11) Uani d . 1 . . C
H32 0.4460 0.4253 0.2417 0.075 Uiso calc R 1 . . H
C33 0.5673(4) 0.4807(3) 0.2998(3) 0.0629(12) Uani d . 1 . . C
H33 0.5529 0.5267 0.2765 0.075 Uiso calc R 1 . . H
C34 0.6522(4) 0.4726(3) 0.3554(3) 0.0624(11) Uani d . 1 . . C
H34 0.6947 0.5135 0.3696 0.075 Uiso calc R 1 . . H
C40 0.5738(4) 0.5898(3) 0.0406(3) 0.0627(13) Uani d . 1 . . C
H40A 0.6314 0.6124 0.0287 0.075 Uiso calc R 1 . . H
H40B 0.5198 0.5830 -0.0023 0.075 Uiso calc R 1 . . H
Cl41 0.60511(9) 0.50282(6) 0.09416(6) 0.0613(3) Uani d . 1 . . Cl
Cl42 0.53451(9) 0.64031(6) 0.11240(6) 0.0613(3) Uani d . 1 . . Cl
C50 0.5554(4) 0.7653(3) 0.9573(3) 0.0607(12) Uani d . 1 . . C
H50A 0.4870 0.7827 0.9400 0.073 Uiso calc R 1 . . H
H50B 0.5570 0.7112 0.9635 0.073 Uiso calc R 1 . . H
Cl51 0.62630(9) 0.81619(6) 1.03761(6) 0.0612(3) Uani d . 1 . . Cl
Cl52 0.63845(9) 0.79866(6) 0.90207(6) 0.0609(3) Uani d . 1 . . Cl
C60 0.2384(4) 0.0633(3) 0.6282(3) 0.0617(12) Uani d . 1 . . C
H60A 0.2426 0.1172 0.6361 0.074 Uiso calc R 1 . . H
H60B 0.2893 0.0376 0.6646 0.074 Uiso calc R 1 . . H
Cl61 0.23931(9) 0.03683(6) 0.53711(6) 0.0616(3) Uani d . 1 . . Cl
Cl62 0.11041(9) 0.02520(6) 0.61905(6) 0.0612(3) Uani d . 1 . . Cl
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'
P P 0.1023 0.0942 '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'
Br Br -0.2901 2.4595 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Cu1 P1 . 124.21(12) yes
N1 Cu1 Br1 . 114.65(12) yes
P1 Cu1 Br1 . 114.42(4) yes
N1 Cu1 Cu2 . 98.04(10) yes
P1 Cu1 Cu2 . 85.78(4) yes
Br1 Cu1 Cu2 . 58.72(2) yes
N1 Cu1 Br1 3_766 98.00(10) yes
P1 Cu1 Br1 3_766 101.33(4) yes
Br1 Cu1 Br1 3_766 96.40(2) yes
Cu2 Cu1 Br1 3_766 154.45(3) yes
N2 Cu2 P2 . 117.70(12) yes
N2 Cu2 Br2 . 103.49(11) yes
P2 Cu2 Br2 . 105.64(4) yes
N2 Cu2 Br1 . 109.64(11) yes
P2 Cu2 Br1 . 113.87(4) yes
Br2 Cu2 Br1 . 105.08(3) yes
N2 Cu2 Cu1 . 91.48(11) yes
P2 Cu2 Cu1 . 79.73(4) yes
Br2 Cu2 Cu1 . 158.76(3) yes
Br1 Cu2 Cu1 . 54.98(2) yes
Cu1 Br1 Cu2 . 66.30(2) yes
Cu1 Br1 Cu1 3_766 83.60(2) yes
Cu2 Br1 Cu1 3_766 149.30(3) yes
C18 P1 C29 . 104.8(2) ?
C18 P1 C23 . 101.6(2) ?
C29 P1 C23 . 104.6(2) ?
C18 P1 Cu1 . 119.03(19) ?
C29 P1 Cu1 . 112.46(17) ?
C23 P1 Cu1 . 112.84(17) ?
C1 P2 C12 . 101.0(2) ?
C1 P2 C6 . 102.6(2) ?
C12 P2 C6 . 101.7(2) ?
C1 P2 Cu2 . 122.20(15) ?
C12 P2 Cu2 . 116.57(18) ?
C6 P2 Cu2 . 110.10(16) ?
C1 N1 C5 . 119.5(4) ?
C1 N1 Cu1 . 120.4(3) ?
C5 N1 Cu1 . 120.1(3) ?
C2 C1 N1 . 120.3(4) ?
C2 C1 P2 . 123.9(3) ?
N1 C1 P2 . 115.8(3) ?
C1 C2 C3 . 119.8(4) ?
C1 C2 H2 . 120.1 ?
C3 C2 H2 . 120.1 ?
C4 C3 C2 . 119.8(4) ?
C4 C3 H3 . 120.1 ?
C2 C3 H3 . 120.1 ?
C5 C4 C3 . 120.1(4) ?
C5 C4 H4 . 119.9 ?
C3 C4 H4 . 119.9 ?
C4 C5 N1 . 120.4(4) ?
C4 C5 H5 . 119.8 ?
N1 C5 H5 . 119.8 ?
C7 C6 C11 . 120.9(5) ?
C7 C6 P2 . 123.6(4) ?
C11 C6 P2 . 115.6(4) ?
C6 C7 C8 . 119.6(4) ?
C6 C7 H7 . 120.2 ?
C8 C7 H7 . 120.2 ?
C9 C8 C7 . 119.3(5) ?
C9 C8 H8 . 120.3 ?
C7 C8 H8 . 120.3 ?
C10 C9 C8 . 120.7(4) ?
C10 C9 H9 . 119.6 ?
C8 C9 H9 . 119.6 ?
C9 C10 C11 . 120.4(5) ?
C9 C10 H10 . 119.8 ?
C11 C10 H10 . 119.8 ?
C6 C11 C10 . 119.1(5) ?
C6 C11 H11 . 120.5 ?
C10 C11 H11 . 120.5 ?
C17 C12 C13 . 120.3(4) ?
C17 C12 P2 . 115.7(3) ?
C13 C12 P2 . 123.9(4) ?
C14 C13 C12 . 119.6(5) ?
C14 C13 H13 . 120.2 ?
C12 C13 H13 . 120.2 ?
C15 C14 C13 . 119.8(4) ?
C15 C14 H14 . 120.1 ?
C13 C14 H14 . 120.1 ?
C16 C15 C14 . 120.3(4) ?
C16 C15 H15 . 119.8 ?
C14 C15 H15 . 119.8 ?
C15 C16 C17 . 120.2(5) ?
C15 C16 H16 . 119.9 ?
C17 C16 H16 . 119.9 ?
C12 C17 C16 . 119.8(5) ?
C12 C17 H17 . 120.1 ?
C16 C17 H17 . 120.1 ?
C22 N2 C18 . 119.8(4) ?
C22 N2 Cu2 . 115.4(3) ?
C18 N2 Cu2 . 124.7(3) ?
C19 C18 N2 . 120.1(4) ?
C19 C18 P1 . 123.0(4) ?
N2 C18 P1 . 116.8(4) ?
C18 C19 C20 . 120.2(5) ?
C18 C19 H19 . 119.9 ?
C20 C19 H19 . 119.9 ?
C21 C20 C19 . 119.7(4) ?
C21 C20 H20 . 120.2 ?
C19 C20 H20 . 120.2 ?
C20 C21 C22 . 119.8(4) ?
C20 C21 H21 . 120.1 ?
C22 C21 H21 . 120.1 ?
N2 C22 C21 . 120.5(4) ?
N2 C22 H22 . 119.8 ?
C21 C22 H22 . 119.8 ?
C24 C23 C28 . 120.1(4) ?
C24 C23 P1 . 122.4(4) ?
C28 C23 P1 . 117.5(4) ?
C23 C24 C25 . 120.2(5) ?
C23 C24 H24 . 119.9 ?
C25 C24 H24 . 119.9 ?
C26 C25 C24 . 119.8(5) ?
C26 C25 H25 . 120.1 ?
C24 C25 H25 . 120.1 ?
C27 C26 C25 . 120.1(4) ?
C27 C26 H26 . 119.9 ?
C25 C26 H26 . 119.9 ?
C26 C27 C28 . 120.1(5) ?
C26 C27 H27 . 120.0 ?
C28 C27 H27 . 120.0 ?
C27 C28 C23 . 119.6(5) ?
C27 C28 H28 . 120.2 ?
C23 C28 H28 . 120.2 ?
C34 C29 C30 . 119.0(5) ?
C34 C29 P1 . 118.3(4) ?
C30 C29 P1 . 122.7(4) ?
C31 C30 C29 . 120.5(5) ?
C31 C30 H30 . 119.7 ?
C29 C30 H30 . 119.7 ?
C30 C31 C32 . 119.6(5) ?
C30 C31 H31 . 120.2 ?
C32 C31 H31 . 120.2 ?
C33 C32 C31 . 120.3(5) ?
C33 C32 H32 . 119.8 ?
C31 C32 H32 . 119.8 ?
C34 C33 C32 . 119.6(5) ?
C34 C33 H33 . 120.2 ?
C32 C33 H33 . 120.2 ?
C33 C34 C29 . 121.0(5) ?
C33 C34 H34 . 119.5 ?
C29 C34 H34 . 119.5 ?
Cl42 C40 Cl41 . 93.4(2) ?
Cl42 C40 H40A . 113.0 ?
Cl41 C40 H40A . 113.0 ?
Cl42 C40 H40B . 113.0 ?
Cl41 C40 H40B . 113.0 ?
H40A C40 H40B . 110.4 ?
Cl51 C50 Cl52 . 93.0(2) ?
Cl51 C50 H50A . 113.1 ?
Cl52 C50 H50A . 113.1 ?
Cl51 C50 H50B . 113.1 ?
Cl52 C50 H50B . 113.1 ?
H50A C50 H50B . 110.5 ?
Cl61 C60 Cl62 . 93.2(2) ?
Cl61 C60 H60A . 113.1 ?
Cl62 C60 H60A . 113.1 ?
Cl61 C60 H60B . 113.1 ?
Cl62 C60 H60B . 113.1 ?
H60A C60 H60B . 110.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N1 . 2.051(4) yes
Cu1 P1 . 2.1699(14) yes
Cu1 Br1 . 2.4645(8) yes
Cu1 Cu2 . 2.7556(8) yes
Cu1 Br1 3_766 2.8008(8) yes
Cu2 N2 . 2.097(4) yes
Cu2 P2 . 2.2140(14) yes
Cu2 Br2 . 2.4754(8) yes
Cu2 Br1 . 2.5721(8) yes
Br1 Cu1 3_766 2.8008(8) ?
P1 C18 . 1.736(5) ?
P1 C29 . 1.810(5) ?
P1 C23 . 1.882(5) ?
P2 C1 . 1.798(5) ?
P2 C12 . 1.825(4) ?
P2 C6 . 1.870(5) ?
N1 C1 . 1.389(6) ?
N1 C5 . 1.395(6) ?
C1 C2 . 1.386(6) ?
C2 C3 . 1.399(7) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.387(6) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.382(6) ?
C4 H4 . 0.9300 ?
C5 H5 . 0.9300 ?
C6 C7 . 1.380(7) ?
C6 C11 . 1.388(7) ?
C7 C8 . 1.398(7) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.392(7) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.364(8) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.397(7) ?
C10 H10 . 0.9300 ?
C11 H11 . 0.9300 ?
C12 C17 . 1.385(7) ?
C12 C13 . 1.400(7) ?
C13 C14 . 1.392(6) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.388(7) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.387(7) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.387(6) ?
C16 H16 . 0.9300 ?
C17 H17 . 0.9300 ?
N2 C22 . 1.383(6) ?
N2 C18 . 1.394(6) ?
C18 C19 . 1.384(7) ?
C19 C20 . 1.396(7) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.392(6) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.393(6) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C24 . 1.379(7) ?
C23 C28 . 1.402(7) ?
C24 C25 . 1.396(6) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.392(7) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.387(7) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.394(6) ?
C27 H27 . 0.9300 ?
C28 H28 . 0.9300 ?
C29 C34 . 1.391(7) ?
C29 C30 . 1.397(7) ?
C30 C31 . 1.385(7) ?
C30 H30 . 0.9300 ?
C31 C32 . 1.393(7) ?
C31 H31 . 0.9300 ?
C32 C33 . 1.389(7) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.380(7) ?
C33 H33 . 0.9300 ?
C34 H34 . 0.9300 ?
C40 Cl42 . 1.846(4) ?
C40 Cl41 . 1.849(5) ?
C40 H40A . 0.9700 ?
C40 H40B . 0.9700 ?
C50 Cl51 . 1.845(5) ?
C50 Cl52 . 1.852(4) ?
C50 H50A . 0.9700 ?
C50 H50B . 0.9700 ?
C60 Cl61 . 1.823(4) ?
C60 Cl62 . 1.860(4) ?
C60 H60A . 0.9700 ?
C60 H60B . 0.9700 ?
