#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/22/2212209.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_2212209
loop_
_publ_author_name
'Wang, De-Hui'
'Song, Li-Qiang'
'Chen, Jian-Hua'
'Chen, Yong'
'Fu, Wen-Fu'
_publ_section_title
;μ-4,4'-Bipyridine-κ²N:N'-bis[(2,2'-bipyridine-κ²N,N')(triphenylphosphine-κP)copper(I)]
 bis(tetrafluoroborate)
;
_journal_coeditor_code           HG2137
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m474
_journal_page_last               m476
_journal_paper_doi               10.1107/S1600536806049531
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (C10 H8 N2)3 (C18 H15  P)2] (B F4)2'
_chemical_formula_moiety         'C66 H54 Cu2 N6 P2 2+, 2(B F4 -)'
_chemical_formula_sum            'C66 H54 B2 Cu2 F8 N6 P2'
_chemical_formula_weight         1293.79
_chemical_name_systematic
;μ-4,4'-Bipyridine-k²N:N'-bis[(2,2'-bipyridine-k²N,N')(triphenylphosphine-
\kP)copper(I)]
 bis(tetrafluoroborate)
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.716(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.010(11)
_cell_length_b                   14.723(17)
_cell_length_c                   20.21(2)
_cell_measurement_reflns_used    1010
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.95
_cell_volume                     2944(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16611
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.9
_exptl_absorpt_correction_T_min  0.889267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6015
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.1155
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0577P)²+1.3321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                3672
_reflns_number_total             6015
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hg2137.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212209
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_type_symbol
_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
Cu Cu1 0.44104(5) 0.33516(3) 0.37179(3) 0.04076(18) Uani d . 1 . .
P P1 0.41493(11) 0.30262(7) 0.26404(5) 0.0355(3) Uani d . 1 . .
N N1 0.5504(4) 0.4468(2) 0.40846(17) 0.0432(9) Uani d . 1 . .
N N2 0.2868(4) 0.4194(2) 0.39003(17) 0.0417(9) Uani d . 1 . .
N N3 0.4650(4) 0.2186(2) 0.42601(17) 0.0419(8) Uani d . 1 . .
C C1 0.6834(5) 0.4557(4) 0.4213(2) 0.0560(13) Uani d . 1 . .
H H1 0.7371 0.4052 0.4168 0.067 Uiso calc R 1 . .
C C2 0.7449(6) 0.5364(4) 0.4411(2) 0.0683(16) Uani d . 1 . .
H H2 0.8386 0.5407 0.4500 0.082 Uiso calc R 1 . .
C C3 0.6666(7) 0.6096(4) 0.4473(2) 0.0681(16) Uani d . 1 . .
H H3 0.7061 0.6653 0.4600 0.082 Uiso calc R 1 . .
C C4 0.5308(6) 0.6016(3) 0.4349(2) 0.0596(13) Uani d . 1 . .
H H4 0.4762 0.6517 0.4392 0.072 Uiso calc R 1 . .
C C5 0.4736(5) 0.5189(3) 0.41587(19) 0.0413(10) Uani d . 1 . .
C C6 0.3268(5) 0.5047(3) 0.4025(2) 0.0462(11) Uani d . 1 . .
C C7 0.2330(6) 0.5731(4) 0.4028(3) 0.0760(17) Uani d . 1 . .
H H7 0.2615 0.6325 0.4121 0.091 Uiso calc R 1 . .
C C8 0.0967(7) 0.5536(5) 0.3893(4) 0.097(2) Uani d . 1 . .
H H8 0.0328 0.5995 0.3888 0.116 Uiso calc R 1 . .
C C9 0.0582(6) 0.4672(5) 0.3769(3) 0.0842(18) Uani d . 1 . .
H H9 -0.0329 0.4520 0.3677 0.101 Uiso calc R 1 . .
C C10 0.1552(5) 0.4027(4) 0.3783(2) 0.0599(13) Uani d . 1 . .
H H10 0.1277 0.3428 0.3704 0.072 Uiso calc R 1 . .
C C11 0.5823(5) 0.1761(3) 0.4382(2) 0.0576(13) Uani d . 1 . .
H H11 0.6582 0.2052 0.4269 0.069 Uiso calc R 1 . .
C C12 0.5985(4) 0.0921(3) 0.4661(2) 0.0548(13) Uani d . 1 . .
H H12 0.6840 0.0660 0.4729 0.066 Uiso calc R 1 . .
C C13 0.4938(4) 0.0455(3) 0.48445(19) 0.0363(10) Uani d . 1 . .
C C14 0.3714(5) 0.0904(3) 0.4728(3) 0.0676(16) Uani d . 1 . .
H H14 0.2947 0.0633 0.4849 0.081 Uiso calc R 1 . .
C C15 0.3621(5) 0.1738(3) 0.4437(3) 0.0652(15) Uani d . 1 . .
H H15 0.2774 0.2012 0.4357 0.078 Uiso calc R 1 . .
C C16 0.3350(4) 0.1925(3) 0.2538(2) 0.0403(10) Uani d . 1 . .
C C17 0.4031(5) 0.1154(3) 0.2432(2) 0.0568(13) Uani d . 1 . .
H H17 0.4913 0.1189 0.2341 0.068 Uiso calc R 1 . .
C C18 0.3423(6) 0.0324(3) 0.2459(3) 0.0791(18) Uani d . 1 . .
H H18 0.3895 -0.0202 0.2387 0.095 Uiso calc R 1 . .
C C19 0.2139(6) 0.0265(4) 0.2589(3) 0.0791(18) Uani d . 1 . .
H H19 0.1736 -0.0300 0.2614 0.095 Uiso calc R 1 . .
C C20 0.1450(7) 0.1022(4) 0.2683(4) 0.094(2) Uani d . 1 . .
H H20 0.0563 0.0983 0.2766 0.113 Uiso calc R 1 . .
C C21 0.2049(6) 0.1852(4) 0.2654(3) 0.0809(18) Uani d . 1 . .
H H21 0.1561 0.2375 0.2716 0.097 Uiso calc R 1 . .
C C22 0.5681(4) 0.2947(3) 0.2263(2) 0.0371(10) Uani d . 1 . .
C C23 0.5744(5) 0.3129(3) 0.1599(2) 0.0551(13) Uani d . 1 . .
H H23 0.4960 0.3273 0.1308 0.066 Uiso calc R 1 . .
C C24 0.6965(6) 0.3098(4) 0.1365(3) 0.0684(15) Uani d . 1 . .
H H24 0.7003 0.3221 0.0917 0.082 Uiso calc R 1 . .
C C25 0.8119(6) 0.2888(3) 0.1785(3) 0.0663(15) Uani d . 1 . .
H H25 0.8941 0.2871 0.1624 0.080 Uiso calc R 1 . .
C C26 0.8073(5) 0.2705(3) 0.2438(3) 0.0604(14) Uani d . 1 . .
H H26 0.8860 0.2551 0.2722 0.072 Uiso calc R 1 . .
C C27 0.6865(4) 0.2745(3) 0.2678(2) 0.0491(11) Uani d . 1 . .
H H27 0.6846 0.2635 0.3130 0.059 Uiso calc R 1 . .
C C28 0.3032(4) 0.3748(3) 0.2081(2) 0.0378(10) Uani d . 1 . .
C C29 0.2233(5) 0.3441(3) 0.1514(2) 0.0588(13) Uani d . 1 . .
H H29 0.2263 0.2832 0.1395 0.071 Uiso calc R 1 . .
C C30 0.1376(5) 0.4034(4) 0.1115(3) 0.0737(16) Uani d . 1 . .
H H30 0.0824 0.3819 0.0736 0.088 Uiso calc R 1 . .
C C31 0.1346(5) 0.4914(4) 0.1277(3) 0.0713(16) Uani d . 1 . .
H H31 0.0784 0.5311 0.1006 0.086 Uiso calc R 1 . .
C C32 0.2138(5) 0.5231(4) 0.1838(3) 0.0652(14) Uani d . 1 . .
H H32 0.2113 0.5843 0.1948 0.078 Uiso calc R 1 . .
C C33 0.2971(4) 0.4652(3) 0.2242(2) 0.0450(11) Uani d . 1 . .
H H33 0.3497 0.4873 0.2627 0.054 Uiso calc R 1 . .
B B1 0.9579(5) 0.2407(4) 0.4668(3) 0.0674(17) Uani d D 1 . .
F F1 1.0442(9) 0.2977(6) 0.5039(4) 0.138(4) Uani d PDU 0.655(10) A 1
F F2 1.0374(8) 0.1835(5) 0.4383(5) 0.149(4) Uani d PDU 0.655(10) A 1
F F3 0.8815(7) 0.2882(6) 0.4186(4) 0.109(3) Uani d PDU 0.655(10) A 1
F F4 0.8805(7) 0.2050(7) 0.5083(4) 0.121(3) Uani d PDU 0.655(10) A 1
F F1' 0.902(2) 0.3099(11) 0.5000(10) 0.228(11) Uani d PDU 0.345(10) A 2
F F2' 1.0894(7) 0.2414(10) 0.4835(6) 0.092(5) Uani d PDU 0.345(10) A 2
F F3' 0.9072(16) 0.2486(11) 0.4009(5) 0.102(6) Uani d PDU 0.345(10) A 2
F F4' 0.9066(12) 0.1590(6) 0.4854(6) 0.077(4) Uani d PDU 0.345(10) A 2
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'
B B 0.0013 0.0007 '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'
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_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N3 Cu1 N1 . 118.01(16) yes
N3 Cu1 N2 . 116.33(14) yes
N1 Cu1 N2 . 79.97(16) yes
N3 Cu1 P1 . 109.62(12) yes
N1 Cu1 P1 . 120.51(10) yes
N2 Cu1 P1 . 109.14(11) yes
C16 P1 C28 . 103.5(2) ?
C16 P1 C22 . 106.36(19) ?
C28 P1 C22 . 104.8(2) ?
C16 P1 Cu1 . 106.99(14) ?
C28 P1 Cu1 . 117.33(15) ?
C22 P1 Cu1 . 116.55(15) ?
C1 N1 C5 . 118.7(4) ?
C1 N1 Cu1 . 128.0(3) ?
C5 N1 Cu1 . 113.2(3) ?
C10 N2 C6 . 118.1(4) ?
C10 N2 Cu1 . 127.5(3) ?
C6 N2 Cu1 . 113.0(3) ?
C15 N3 C11 . 115.0(4) ?
C15 N3 Cu1 . 122.4(3) ?
C11 N3 Cu1 . 122.0(3) ?
N1 C1 C2 . 122.5(5) ?
N1 C1 H1 . 118.8 ?
C2 C1 H1 . 118.8 ?
C3 C2 C1 . 118.6(5) ?
C3 C2 H2 . 120.7 ?
C1 C2 H2 . 120.7 ?
C2 C3 C4 . 119.7(5) ?
C2 C3 H3 . 120.1 ?
C4 C3 H3 . 120.1 ?
C3 C4 C5 . 119.6(5) ?
C3 C4 H4 . 120.2 ?
C5 C4 H4 . 120.2 ?
N1 C5 C4 . 120.9(5) ?
N1 C5 C6 . 116.5(4) ?
C4 C5 C6 . 122.7(4) ?
N2 C6 C7 . 120.4(5) ?
N2 C6 C5 . 115.6(4) ?
C7 C6 C5 . 124.0(5) ?
C6 C7 C8 . 120.0(5) ?
C6 C7 H7 . 120.0 ?
C8 C7 H7 . 120.0 ?
C9 C8 C7 . 118.9(5) ?
C9 C8 H8 . 120.6 ?
C7 C8 H8 . 120.6 ?
C8 C9 C10 . 118.4(6) ?
C8 C9 H9 . 120.8 ?
C10 C9 H9 . 120.8 ?
N2 C10 C9 . 124.2(5) ?
N2 C10 H10 . 117.9 ?
C9 C10 H10 . 117.9 ?
N3 C11 C12 . 123.7(4) ?
N3 C11 H11 . 118.1 ?
C12 C11 H11 . 118.1 ?
C13 C12 C11 . 121.9(4) ?
C13 C12 H12 . 119.0 ?
C11 C12 H12 . 119.0 ?
C12 C13 C14 . 114.5(4) ?
C12 C13 C13 3_656 124.0(5) ?
C14 C13 C13 3_656 121.4(5) ?
C15 C14 C13 . 120.5(4) ?
C15 C14 H14 . 119.8 ?
C13 C14 H14 . 119.8 ?
N3 C15 C14 . 124.4(4) ?
N3 C15 H15 . 117.8 ?
C14 C15 H15 . 117.8 ?
C17 C16 C21 . 118.5(4) ?
C17 C16 P1 . 123.0(4) ?
C21 C16 P1 . 118.0(3) ?
C16 C17 C18 . 120.2(5) ?
C16 C17 H17 . 119.9 ?
C18 C17 H17 . 119.9 ?
C19 C18 C17 . 120.4(5) ?
C19 C18 H18 . 119.8 ?
C17 C18 H18 . 119.8 ?
C20 C19 C18 . 119.9(5) ?
C20 C19 H19 . 120.0 ?
C18 C19 H19 . 120.0 ?
C19 C20 C21 . 120.0(6) ?
C19 C20 H20 . 120.0 ?
C21 C20 H20 . 120.0 ?
C16 C21 C20 . 121.0(5) ?
C16 C21 H21 . 119.5 ?
C20 C21 H21 . 119.5 ?
C27 C22 C23 . 118.2(4) ?
C27 C22 P1 . 117.5(3) ?
C23 C22 P1 . 124.2(4) ?
C24 C23 C22 . 120.1(5) ?
C24 C23 H23 . 120.0 ?
C22 C23 H23 . 120.0 ?
C25 C24 C23 . 120.5(5) ?
C25 C24 H24 . 119.8 ?
C23 C24 H24 . 119.8 ?
C26 C25 C24 . 120.1(5) ?
C26 C25 H25 . 119.9 ?
C24 C25 H25 . 119.9 ?
C25 C26 C27 . 119.9(5) ?
C25 C26 H26 . 120.0 ?
C27 C26 H26 . 120.0 ?
C26 C27 C22 . 121.2(5) ?
C26 C27 H27 . 119.4 ?
C22 C27 H27 . 119.4 ?
C29 C28 C33 . 118.4(4) ?
C29 C28 P1 . 123.8(3) ?
C33 C28 P1 . 117.8(3) ?
C28 C29 C30 . 120.5(5) ?
C28 C29 H29 . 119.8 ?
C30 C29 H29 . 119.8 ?
C31 C30 C29 . 120.1(5) ?
C31 C30 H30 . 120.0 ?
C29 C30 H30 . 120.0 ?
C30 C31 C32 . 120.2(5) ?
C30 C31 H31 . 119.9 ?
C32 C31 H31 . 119.9 ?
C31 C32 C33 . 120.5(5) ?
C31 C32 H32 . 119.8 ?
C33 C32 H32 . 119.8 ?
C32 C33 C28 . 120.4(5) ?
C32 C33 H33 . 119.8 ?
C28 C33 H33 . 119.8 ?
F2' B1 F4 . 119.9(7) ?
F2' B1 F3 . 128.6(7) ?
F4 B1 F3 . 109.9(6) ?
F2' B1 F2 . 58.6(7) ?
F4 B1 F2 . 117.4(7) ?
F3 B1 F2 . 108.9(6) ?
F2' B1 F1 . 46.9(6) ?
F4 B1 F1 . 106.3(7) ?
F3 B1 F1 . 109.0(7) ?
F2 B1 F1 . 104.9(6) ?
F2' B1 F3' . 117.7(9) ?
F4 B1 F3' . 119.0(9) ?
F3 B1 F3' . 32.3(6) ?
F2 B1 F3' . 78.0(8) ?
F1 B1 F3' . 127.2(9) ?
F2' B1 F4' . 109.7(8) ?
F4 B1 F4' . 37.9(5) ?
F3 B1 F4' . 117.2(7) ?
F2 B1 F4' . 80.8(7) ?
F1 B1 F4' . 128.6(7) ?
F3' B1 F4' . 104.1(8) ?
F2' B1 F1' . 109.6(10) ?
F4 B1 F1' . 70.6(9) ?
F3 B1 F1' . 74.9(9) ?
F2 B1 F1' . 167.6(10) ?
F1 B1 F1' . 62.9(9) ?
F3' B1 F1' . 107.1(10) ?
F4' B1 F1' . 108.3(10) ?
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 N3 . 2.030(4) yes
Cu1 N1 . 2.050(4) yes
Cu1 N2 . 2.057(4) yes
Cu1 P1 . 2.206(3) yes
P1 C16 . 1.806(4) ?
P1 C28 . 1.810(4) ?
P1 C22 . 1.817(4) ?
N1 C1 . 1.324(6) ?
N1 C5 . 1.331(5) ?
N2 C10 . 1.326(6) ?
N2 C6 . 1.331(6) ?
N3 C15 . 1.318(6) ?
N3 C11 . 1.321(6) ?
C1 C2 . 1.370(7) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.349(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.350(7) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.375(6) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.468(6) ?
C6 C7 . 1.377(7) ?
C7 C8 . 1.380(8) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.341(8) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.357(7) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C12 . 1.359(6) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.350(6) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.381(6) ?
C13 C13 3_656 1.476(8) ?
C14 C15 . 1.360(6) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 C17 . 1.359(6) ?
C16 C21 . 1.362(7) ?
C17 C18 . 1.370(7) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.353(8) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.339(8) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.367(7) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C22 C27 . 1.377(6) ?
C22 C23 . 1.380(6) ?
C23 C24 . 1.376(7) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.362(8) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.353(7) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.371(6) ?
C26 H26 . 0.9300 ?
C27 H27 . 0.9300 ?
C28 C29 . 1.371(6) ?
C28 C33 . 1.375(6) ?
C29 C30 . 1.392(7) ?
C29 H29 . 0.9300 ?
C30 C31 . 1.338(8) ?
C30 H30 . 0.9300 ?
C31 C32 . 1.363(7) ?
C31 H31 . 0.9300 ?
C32 C33 . 1.371(6) ?
C32 H32 . 0.9300 ?
C33 H33 . 0.9300 ?
B1 F2' . 1.309(8) ?
B1 F4 . 1.333(7) ?
B1 F3 . 1.340(7) ?
B1 F2 . 1.347(7) ?
B1 F1 . 1.348(7) ?
B1 F3' . 1.356(9) ?
B1 F4' . 1.382(8) ?
B1 F1' . 1.385(9) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N3 Cu1 P1 C16 . . 29.91(19)
N1 Cu1 P1 C16 . . 171.98(19)
N2 Cu1 P1 C16 . . -98.6(2)
N3 Cu1 P1 C28 . . 145.61(19)
N1 Cu1 P1 C28 . . -72.3(2)
N2 Cu1 P1 C28 . . 17.14(19)
N3 Cu1 P1 C22 . . -88.89(18)
N1 Cu1 P1 C22 . . 53.2(2)
N2 Cu1 P1 C22 . . 142.63(18)
N3 Cu1 N1 C1 . . 60.2(4)
N2 Cu1 N1 C1 . . 174.8(4)
P1 Cu1 N1 C1 . . -78.8(4)
N3 Cu1 N1 C5 . . -123.7(3)
N2 Cu1 N1 C5 . . -9.1(3)
P1 Cu1 N1 C5 . . 97.3(3)
N3 Cu1 N2 C10 . . -65.3(4)
N1 Cu1 N2 C10 . . 178.3(4)
P1 Cu1 N2 C10 . . 59.3(4)
N3 Cu1 N2 C6 . . 128.6(3)
N1 Cu1 N2 C6 . . 12.2(3)
P1 Cu1 N2 C6 . . -106.8(3)
N1 Cu1 N3 C15 . . 127.0(4)
N2 Cu1 N3 C15 . . 34.5(4)
P1 Cu1 N3 C15 . . -89.9(4)
N1 Cu1 N3 C11 . . -62.4(4)
N2 Cu1 N3 C11 . . -154.9(4)
P1 Cu1 N3 C11 . . 80.7(4)
C5 N1 C1 C2 . . -1.0(7)
Cu1 N1 C1 C2 . . 174.9(3)
N1 C1 C2 C3 . . -0.3(8)
C1 C2 C3 C4 . . 0.8(8)
C2 C3 C4 C5 . . -0.2(7)
C1 N1 C5 C4 . . 1.6(6)
Cu1 N1 C5 C4 . . -174.8(3)
C1 N1 C5 C6 . . -178.6(4)
Cu1 N1 C5 C6 . . 5.0(4)
C3 C4 C5 N1 . . -1.1(7)
C3 C4 C5 C6 . . 179.1(4)
C10 N2 C6 C7 . . -0.2(6)
Cu1 N2 C6 C7 . . 167.3(4)
C10 N2 C6 C5 . . 179.4(4)
Cu1 N2 C6 C5 . . -13.1(4)
N1 C5 C6 N2 . . 5.6(5)
C4 C5 C6 N2 . . -174.6(4)
N1 C5 C6 C7 . . -174.9(4)
C4 C5 C6 C7 . . 4.9(7)
N2 C6 C7 C8 . . -0.8(8)
C5 C6 C7 C8 . . 179.7(5)
C6 C7 C8 C9 . . 0.9(10)
C7 C8 C9 C10 . . 0.0(10)
C6 N2 C10 C9 . . 1.2(7)
Cu1 N2 C10 C9 . . -164.3(4)
C8 C9 C10 N2 . . -1.1(9)
C15 N3 C11 C12 . . 0.6(8)
Cu1 N3 C11 C12 . . -170.7(4)
N3 C11 C12 C13 . . -0.6(8)
C11 C12 C13 C14 . . -0.4(7)
C11 C12 C13 C13 . 3_656 -179.4(5)
C12 C13 C14 C15 . . 1.4(8)
C13 C13 C14 C15 3_656 . -179.6(5)
C11 N3 C15 C14 . . 0.5(8)
Cu1 N3 C15 C14 . . 171.7(4)
C13 C14 C15 N3 . . -1.5(9)
C28 P1 C16 C17 . . 131.7(4)
C22 P1 C16 C17 . . 21.5(4)
Cu1 P1 C16 C17 . . -103.8(4)
C28 P1 C16 C21 . . -56.6(5)
C22 P1 C16 C21 . . -166.8(4)
Cu1 P1 C16 C21 . . 67.9(4)
C21 C16 C17 C18 . . -1.5(8)
P1 C16 C17 C18 . . 170.1(4)
C16 C17 C18 C19 . . 0.2(9)
C17 C18 C19 C20 . . 1.0(10)
C18 C19 C20 C21 . . -0.8(11)
C17 C16 C21 C20 . . 1.8(9)
P1 C16 C21 C20 . . -170.3(5)
C19 C20 C21 C16 . . -0.6(11)
C16 P1 C22 C27 . . -94.8(4)
C28 P1 C22 C27 . . 155.9(3)
Cu1 P1 C22 C27 . . 24.3(4)
C16 P1 C22 C23 . . 89.2(4)
C28 P1 C22 C23 . . -20.1(4)
Cu1 P1 C22 C23 . . -151.6(3)
C27 C22 C23 C24 . . 0.6(6)
P1 C22 C23 C24 . . 176.5(3)
C22 C23 C24 C25 . . 0.0(7)
C23 C24 C25 C26 . . 0.3(8)
C24 C25 C26 C27 . . -1.1(8)
C25 C26 C27 C22 . . 1.8(7)
C23 C22 C27 C26 . . -1.5(6)
P1 C22 C27 C26 . . -177.7(3)
C16 P1 C28 C29 . . -27.9(4)
C22 P1 C28 C29 . . 83.5(4)
Cu1 P1 C28 C29 . . -145.4(4)
C16 P1 C28 C33 . . 151.1(3)
C22 P1 C28 C33 . . -97.6(3)
Cu1 P1 C28 C33 . . 33.5(4)
C33 C28 C29 C30 . . -0.3(7)
P1 C28 C29 C30 . . 178.6(4)
C28 C29 C30 C31 . . 1.2(8)
C29 C30 C31 C32 . . -1.0(9)
C30 C31 C32 C33 . . 0.0(8)
C31 C32 C33 C28 . . 0.9(7)
C29 C28 C33 C32 . . -0.7(6)
P1 C28 C33 C32 . . -179.7(4)
