#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:34:36 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179977 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/71/7027157.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7027157
loop_
_publ_author_name
'Klein, Axel'
'Kasack, Volker'
'Reinhardt, Ralf'
'Sixt, Torsten'
'Scheiring, Thomas'
'Zalis, Stanislav'
'Fiedler, Jan'
'Kaim, Wolfgang'
_publ_section_title
;
 2,5-Bis(1-phenyliminoethyl)pyrazine (bpip): a conjugated metal--metal
 bridging acceptor ligand and its homodinuclear complexes with low-valent
 metal centres
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              575
_journal_paper_doi               10.1039/a808293f
_journal_year                    1999
_chemical_formula_analytical     'C92 H78 B2 Cu2 F8 N4 P4'
_chemical_formula_moiety         'C92 H78 B2 Cu2 F8 N4 P4'
_chemical_formula_structural     'C92 H78 B2 Cu2 F8 N4 P4'
_chemical_formula_sum            'C92 H78 B2 Cu2 F8 N4 P4'
_chemical_formula_weight         1664.16
_chemical_name_common
;
(-2,5-Bis(1-phenyliminoethyl)pyrazine)-di-(bis-triphenylphosphinocopper(I))
tetrafluoroborate 
;
_chemical_name_systematic
;
(-2,5-Bis(1-phenyliminoethyl)pyrazine)-di-(bis-triphenylphosphinocopper(I))
tetrafluoroborate        
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 105.03(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.844(3)
_cell_length_b                   11.111(3)
_cell_length_c                   26.604(6)
_cell_measurement_temperature    183(2)
_cell_volume                     3952.3(17)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-94 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω scans'
_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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       3
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            7271
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.52
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.689
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violett-black
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_description       fraction
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.487
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.126
_refine_ls_goodness_of_fit_obs   1.210
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.217
_refine_ls_restrained_S_obs      1.210
_refine_ls_R_factor_all          0.1025
_refine_ls_R_factor_obs          0.0622
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0654P)²+8.7620P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1844
_refine_ls_wR_factor_obs         0.1516
_reflns_number_observed          4882
_reflns_number_total             6974
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            808293fsup1.cif
_cod_data_source_block           ak1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0654P)^2^+8.7620P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0654P)^2^+8.7620P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3952.2(17)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7027157
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.86240(4) 0.60524(5) 0.08302(2) 0.0225(2) Uani 1 d .
P1 P 0.78229(10) 0.77527(12) 0.04782(5) 0.0234(3) Uani 1 d .
P2 P 0.91664(9) 0.61696(12) 0.17121(5) 0.0225(3) Uani 1 d .
N1 N 0.8055(3) 0.4324(4) 0.06087(15) 0.0226(9) Uani 1 d .
N2 N 0.9551(3) 0.5461(4) 0.03755(15) 0.0226(9) Uani 1 d .
C6 C 0.7266(4) 0.3744(5) 0.0786(2) 0.0288(12) Uani 1 d .
C5 C 0.7501(5) 0.3126(6) 0.1258(2) 0.0414(14) Uani 1 d .
H5A H 0.8184(5) 0.3065(6) 0.1458(2) 0.080 Uiso 1 d R
C4 C 0.6728(5) 0.2590(6) 0.1433(3) 0.051(2) Uani 1 d .
H4A H 0.6884(5) 0.2172(6) 0.1760(3) 0.080 Uiso 1 d R
C3 C 0.5746(5) 0.2669(7) 0.1139(3) 0.056(2) Uani 1 d .
H3A H 0.5222(5) 0.2287(7) 0.1256(3) 0.080 Uiso 1 d R
C2 C 0.5526(5) 0.3294(7) 0.0668(3) 0.061(2) Uani 1 d .
H2A H 0.4844(5) 0.3375(7) 0.0468(3) 0.080 Uiso 1 d R
C1 C 0.6286(5) 0.3813(7) 0.0491(3) 0.051(2) Uani 1 d .
H1A H 0.6137(5) 0.4226(7) 0.0163(3) 0.080 Uiso 1 d R
C71 C 0.8290(4) 0.2416(5) 0.0168(2) 0.0315(12) Uani 1 d .
H71A H 0.7761(4) 0.2113(5) 0.0305(2) 0.080 Uiso 1 d R
H71B H 0.8095(4) 0.2361(5) -0.0205(2) 0.080 Uiso 1 d R
H71C H 0.8884(4) 0.1948(5) 0.0302(2) 0.080 Uiso 1 d R
C7 C 0.8494(4) 0.3708(4) 0.0326(2) 0.0214(10) Uani 1 d .
C8 C 0.9298(3) 0.4376(4) 0.0153(2) 0.0211(10) Uani 1 d .
C9 C 1.0261(4) 0.6075(4) 0.0218(2) 0.0240(10) Uani 1 d .
H9 H 1.0459(4) 0.6825(4) 0.0364(2) 0.029 Uiso 1 calc R
C11 C 0.7533(4) 0.7980(5) -0.0228(2) 0.0245(11) Uani 1 d .
C12 C 0.7468(4) 0.6970(5) -0.0545(2) 0.0348(13) Uani 1 d .
H12A H 0.7599(4) 0.6184(5) -0.0392(2) 0.080 Uiso 1 d R
C13 C 0.7208(5) 0.7108(6) -0.1090(2) 0.0402(14) Uani 1 d .
H13A H 0.7148(5) 0.6415(6) -0.1311(2) 0.080 Uiso 1 d R
C14 C 0.7038(4) 0.8247(6) -0.1304(2) 0.0394(14) Uani 1 d .
H14A H 0.6868(4) 0.8338(6) -0.1675(2) 0.080 Uiso 1 d R
C15 C 0.7116(4) 0.9251(5) -0.0994(2) 0.0341(13) Uani 1 d .
H15A H 0.7001(4) 1.0037(5) -0.1148(2) 0.080 Uiso 1 d R
C16 C 0.7354(4) 0.9115(5) -0.0452(2) 0.0298(12) Uani 1 d .
H16A H 0.7397(4) 0.9811(5) -0.0234(2) 0.080 Uiso 1 d R
C21 C 0.8635(4) 0.9035(5) 0.0729(2) 0.0273(11) Uani 1 d .
C22 C 0.8553(5) 0.9757(5) 0.1144(2) 0.0366(13) Uani 1 d .
H22A H 0.7982(5) 0.9675(5) 0.1284(2) 0.080 Uiso 1 d R
C23 C 0.9298(6) 1.0589(5) 0.1357(2) 0.049(2) Uani 1 d .
H23A H 0.9247(6) 1.1076(5) 0.1647(2) 0.080 Uiso 1 d R
C24 C 1.0123(5) 1.0712(6) 0.1149(3) 0.051(2) Uani 1 d .
H24A H 1.0635(5) 1.1290(6) 0.1295(3) 0.080 Uiso 1 d R
C25 C 1.0202(4) 1.0018(6) 0.0742(2) 0.046(2) Uani 1 d .
H25A H 1.0771(4) 1.0107(6) 0.0602(2) 0.080 Uiso 1 d R
C26 C 0.9466(4) 0.9185(5) 0.0527(2) 0.0331(13) Uani 1 d .
H26A H 0.9525(4) 0.8701(5) 0.0237(2) 0.080 Uiso 1 d R
C31 C 0.6610(4) 0.8028(5) 0.0614(2) 0.0279(12) Uani 1 d .
C32 C 0.6156(4) 0.9156(6) 0.0568(2) 0.0407(14) Uani 1 d .
H32A H 0.6502(4) 0.9849(6) 0.0488(2) 0.080 Uiso 1 d R
C33 C 0.5198(5) 0.9263(6) 0.0642(3) 0.049(2) Uani 1 d .
H33A H 0.4871(5) 1.0033(6) 0.0604(3) 0.080 Uiso 1 d R
C34 C 0.4711(4) 0.8262(7) 0.0764(2) 0.047(2) Uani 1 d .
H34A H 0.4052(4) 0.8348(7) 0.0814(2) 0.080 Uiso 1 d R
C35 C 0.5161(4) 0.7148(7) 0.0819(2) 0.045(2) Uani 1 d .
H35A H 0.4822(4) 0.6457(7) 0.0907(2) 0.080 Uiso 1 d R
C36 C 0.6124(4) 0.7038(5) 0.0742(2) 0.0367(13) Uani 1 d .
H36A H 0.6448(4) 0.6268(5) 0.0778(2) 0.080 Uiso 1 d R
C41 C 0.9900(4) 0.4907(4) 0.2043(2) 0.0242(11) Uani 1 d .
C42 C 1.0403(4) 0.4181(5) 0.1764(2) 0.0339(13) Uani 1 d .
H42A H 1.0318(4) 0.4324(5) 0.1399(2) 0.080 Uiso 1 d R
C43 C 1.1029(4) 0.3263(5) 0.2012(2) 0.0422(15) Uani 1 d .
H43A H 1.1376(4) 0.2775(5) 0.1818(2) 0.080 Uiso 1 d R
C44 C 1.1157(4) 0.3047(5) 0.2535(2) 0.0414(15) Uani 1 d .
H44A H 1.1581(4) 0.2401(5) 0.2703(2) 0.080 Uiso 1 d R
C45 C 1.0670(4) 0.3759(5) 0.2817(2) 0.0392(14) Uani 1 d .
H45A H 1.0760(4) 0.3605(5) 0.3181(2) 0.080 Uiso 1 d R
C46 C 1.0052(4) 0.4696(5) 0.2580(2) 0.0339(13) Uani 1 d .
H46A H 0.9727(4) 0.5198(5) 0.2780(2) 0.080 Uiso 1 d R
C51 C 0.8082(4) 0.6282(4) 0.1984(2) 0.0251(11) Uani 1 d .
C52 C 0.7683(4) 0.5305(6) 0.2175(2) 0.0412(14) Uani 1 d .
H52A H 0.8033(4) 0.4551(6) 0.2214(2) 0.080 Uiso 1 d R
C53 C 0.6780(5) 0.5398(6) 0.2316(3) 0.057(2) Uani 1 d .
H53A H 0.6511(5) 0.4706(6) 0.2449(3) 0.080 Uiso 1 d R
C54 C 0.6280(5) 0.6473(6) 0.2264(2) 0.045(2) Uani 1 d .
H54A H 0.5652(5) 0.6533(6) 0.2352(2) 0.080 Uiso 1 d R
C55 C 0.6681(4) 0.7457(6) 0.2086(2) 0.0386(14) Uani 1 d .
H55A H 0.6335(4) 0.8214(6) 0.2055(2) 0.080 Uiso 1 d R
C56 C 0.7577(4) 0.7384(5) 0.1949(2) 0.0323(12) Uani 1 d .
H56A H 0.7853(4) 0.8086(5) 0.1829(2) 0.080 Uiso 1 d R
C61 C 0.9969(4) 0.7439(4) 0.1999(2) 0.0229(10) Uani 1 d .
C62 C 0.9926(4) 0.7978(5) 0.2467(2) 0.0310(12) Uani 1 d .
H62A H 0.9437(4) 0.7713(5) 0.2641(2) 0.080 Uiso 1 d R
C63 C 1.0593(4) 0.8890(5) 0.2682(2) 0.0382(14) Uani 1 d .
H63A H 1.0540(4) 0.9285(5) 0.2995(2) 0.080 Uiso 1 d R
C64 C 1.1325(4) 0.9238(5) 0.2447(2) 0.0411(14) Uani 1 d .
H64A H 1.1797(4) 0.9849(5) 0.2604(2) 0.080 Uiso 1 d R
C65 C 1.1383(4) 0.8689(5) 0.1981(2) 0.0389(14) Uani 1 d .
H65A H 1.1886(4) 0.8930(5) 0.1812(2) 0.080 Uiso 1 d R
C66 C 1.0690(4) 0.7788(5) 0.1761(2) 0.0332(13) Uani 1 d .
H66A H 1.0721(4) 0.7407(5) 0.1441(2) 0.080 Uiso 1 d R
B1 B 0.7287(5) 0.3718(6) -0.1140(3) 0.0340(15) Uani 1 d .
F1 F 0.8108(3) 0.4320(4) -0.1211(2) 0.0735(13) Uani 1 d .
F2 F 0.7503(3) 0.2477(3) -0.11039(13) 0.0485(9) Uani 1 d .
F3 F 0.6461(3) 0.3915(4) -0.15411(14) 0.0633(11) Uani 1 d .
F4 F 0.7102(3) 0.4099(3) -0.06798(13) 0.0485(9) Uani 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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Cu1 N1 78.0(2) . .
N2 Cu1 P1 109.39(12) . .
N1 Cu1 P1 122.56(12) . .
N2 Cu1 P2 121.89(11) . .
N1 Cu1 P2 109.95(11) . .
P1 Cu1 P2 111.95(5) . .
C21 P1 C31 107.8(2) . .
C21 P1 C11 102.5(2) . .
C31 P1 C11 102.2(2) . .
C21 P1 Cu1 108.0(2) . .
C31 P1 Cu1 115.6(2) . .
C11 P1 Cu1 119.5(2) . .
C41 P2 C51 105.8(2) . .
C41 P2 C61 100.9(2) . .
C51 P2 C61 104.6(2) . .
C41 P2 Cu1 116.7(2) . .
C51 P2 Cu1 109.1(2) . .
C61 P2 Cu1 118.4(2) . .
C7 N1 C6 117.7(4) . .
C7 N1 Cu1 116.9(3) . .
C6 N1 Cu1 125.1(3) . .
C8 N2 C9 116.3(4) . .
C8 N2 Cu1 114.0(3) . .
C9 N2 Cu1 128.9(3) . .
C1 C6 C5 120.2(5) . .
C1 C6 N1 120.2(5) . .
C5 C6 N1 119.6(5) . .
C6 C5 C4 119.3(6) . .
C3 C4 C5 120.3(6) . .
C4 C3 C2 119.6(6) . .
C1 C2 C3 120.3(6) . .
C6 C1 C2 120.3(6) . .
N1 C7 C71 126.3(5) . .
N1 C7 C8 114.6(4) . .
C71 C7 C8 119.1(4) . .
N2 C8 C9 121.6(4) . 3_765
N2 C8 C7 115.8(4) . .
C9 C8 C7 122.5(4) 3_765 .
N2 C9 C8 122.0(5) . 3_765
C16 C11 C12 119.6(5) . .
C16 C11 P1 122.2(4) . .
C12 C11 P1 118.2(4) . .
C11 C12 C13 119.7(5) . .
C14 C13 C12 119.6(5) . .
C15 C14 C13 121.2(5) . .
C14 C15 C16 119.3(5) . .
C11 C16 C15 120.6(5) . .
C22 C21 C26 118.7(5) . .
C22 C21 P1 124.6(4) . .
C26 C21 P1 116.1(4) . .
C23 C22 C21 119.9(6) . .
C22 C23 C24 120.0(6) . .
C25 C24 C23 120.2(6) . .
C24 C25 C26 120.5(6) . .
C25 C26 C21 120.6(6) . .
C36 C31 C32 120.1(5) . .
C36 C31 P1 116.6(4) . .
C32 C31 P1 123.2(4) . .
C31 C32 C33 119.2(6) . .
C34 C33 C32 120.2(6) . .
C35 C34 C33 121.0(6) . .
C34 C35 C36 118.8(6) . .
C31 C36 C35 120.7(6) . .
C42 C41 C46 118.6(5) . .
C42 C41 P2 118.6(4) . .
C46 C41 P2 122.5(4) . .
C43 C42 C41 120.4(5) . .
C44 C43 C42 120.6(6) . .
C43 C44 C45 119.7(5) . .
C44 C45 C46 120.8(5) . .
C45 C46 C41 119.8(5) . .
C52 C51 C56 118.2(5) . .
C52 C51 P2 122.8(4) . .
C56 C51 P2 118.7(4) . .
C51 C52 C53 121.0(6) . .
C54 C53 C52 120.0(6) . .
C55 C54 C53 119.5(6) . .
C54 C55 C56 121.2(6) . .
C55 C56 C51 120.1(5) . .
C66 C61 C62 119.8(5) . .
C66 C61 P2 117.3(4) . .
C62 C61 P2 122.7(4) . .
C63 C62 C61 120.1(5) . .
C64 C63 C62 120.5(5) . .
C63 C64 C65 119.8(6) . .
C64 C65 C66 119.2(5) . .
C61 C66 C65 120.6(5) . .
F3 B1 F1 111.7(5) . .
F3 B1 F4 109.5(5) . .
F1 B1 F4 108.8(5) . .
F3 B1 F2 109.3(5) . .
F1 B1 F2 108.5(5) . .
F4 B1 F2 109.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 2.085(4) .
Cu1 N1 2.101(4) .
Cu1 P1 2.2666(15) .
Cu1 P2 2.2741(14) .
P1 C21 1.831(5) .
P1 C31 1.832(5) .
P1 C11 1.833(5) .
P2 C41 1.820(5) .
P2 C51 1.832(5) .
P2 C61 1.835(5) .
N1 C7 1.281(6) .
N1 C6 1.448(6) .
N2 C8 1.348(6) .
N2 C9 1.349(6) .
C6 C1 1.383(8) .
C6 C5 1.393(8) .
C5 C4 1.405(8) .
C4 C3 1.386(9) .
C3 C2 1.394(10) .
C2 C1 1.385(9) .
C71 C7 1.502(7) .
C7 C8 1.506(7) .
C8 C9 1.384(7) 3_765
C9 C8 1.384(7) 3_765
C11 C16 1.390(7) .
C11 C12 1.394(7) .
C12 C13 1.407(8) .
C13 C14 1.383(8) .
C14 C15 1.375(8) .
C15 C16 1.400(7) .
C21 C22 1.394(7) .
C21 C26 1.400(7) .
C22 C23 1.391(8) .
C23 C24 1.399(10) .
C24 C25 1.355(9) .
C25 C26 1.387(8) .
C31 C36 1.377(8) .
C31 C32 1.393(8) .
C32 C33 1.397(8) .
C33 C34 1.381(9) .
C34 C35 1.377(9) .
C35 C36 1.406(8) .
C41 C42 1.400(7) .
C41 C46 1.408(7) .
C42 C43 1.388(8) .
C43 C44 1.378(9) .
C44 C45 1.381(9) .
C45 C46 1.390(8) .
C51 C52 1.374(8) .
C51 C56 1.401(7) .
C52 C53 1.399(8) .
C53 C54 1.370(9) .
C54 C55 1.366(9) .
C55 C56 1.382(8) .
C61 C66 1.371(7) .
C61 C62 1.396(7) .
C62 C63 1.391(8) .
C63 C64 1.375(8) .
C64 C65 1.404(8) .
C65 C66 1.404(8) .
B1 F3 1.365(7) .
B1 F1 1.373(7) .
B1 F4 1.380(7) .
B1 F2 1.409(8) .
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
_geom_torsion_site_symmetry_4
N2 Cu1 P1 C21 -86.3(2) .
N1 Cu1 P1 C21 -174.1(2) .
P2 Cu1 P1 C21 51.9(2) .
N2 Cu1 P1 C31 152.9(2) .
N1 Cu1 P1 C31 65.0(2) .
P2 Cu1 P1 C31 -68.9(2) .
N2 Cu1 P1 C11 30.2(2) .
N1 Cu1 P1 C11 -57.7(2) .
P2 Cu1 P1 C11 168.4(2) .
N2 Cu1 P2 C41 -43.6(2) .
N1 Cu1 P2 C41 44.4(2) .
P1 Cu1 P2 C41 -175.8(2) .
N2 Cu1 P2 C51 -163.4(2) .
N1 Cu1 P2 C51 -75.4(2) .
P1 Cu1 P2 C51 64.4(2) .
N2 Cu1 P2 C61 77.3(2) .
N1 Cu1 P2 C61 165.3(2) .
P1 Cu1 P2 C61 -55.0(2) .
N2 Cu1 N1 C7 1.2(3) .
P1 Cu1 N1 C7 106.7(3) .
P2 Cu1 N1 C7 -118.6(3) .
N2 Cu1 N1 C6 175.7(4) .
P1 Cu1 N1 C6 -78.9(4) .
P2 Cu1 N1 C6 55.8(4) .
N1 Cu1 N2 C8 4.0(3) .
P1 Cu1 N2 C8 -116.5(3) .
P2 Cu1 N2 C8 110.2(3) .
N1 Cu1 N2 C9 173.7(4) .
P1 Cu1 N2 C9 53.1(4) .
P2 Cu1 N2 C9 -80.2(4) .
C7 N1 C6 C1 -90.7(7) .
Cu1 N1 C6 C1 94.9(6) .
C7 N1 C6 C5 90.0(6) .
Cu1 N1 C6 C5 -84.4(6) .
C1 C6 C5 C4 -0.8(9) .
N1 C6 C5 C4 178.5(5) .
C6 C5 C4 C3 0.4(10) .
C5 C4 C3 C2 -0.6(11) .
C4 C3 C2 C1 1.3(12) .
C5 C6 C1 C2 1.5(10) .
N1 C6 C1 C2 -177.8(6) .
C3 C2 C1 C6 -1.8(12) .
C6 N1 C7 C71 -1.6(7) .
Cu1 N1 C7 C71 173.3(4) .
C6 N1 C7 C8 179.5(4) .
Cu1 N1 C7 C8 -5.6(5) .
C9 N2 C8 C9 -0.4(7) 3_765
Cu1 N2 C8 C9 170.6(4) 3_765
C9 N2 C8 C7 -179.1(4) .
Cu1 N2 C8 C7 -8.1(5) .
N1 C7 C8 N2 9.2(6) .
C71 C7 C8 N2 -169.8(4) .
N1 C7 C8 C9 -169.5(4) 3_765
C71 C7 C8 C9 11.5(7) 3_765
C8 N2 C9 C8 0.4(7) 3_765
Cu1 N2 C9 C8 -169.0(3) 3_765
C21 P1 C11 C16 -39.1(5) .
C31 P1 C11 C16 72.5(5) .
Cu1 P1 C11 C16 -158.5(4) .
C21 P1 C11 C12 142.5(4) .
C31 P1 C11 C12 -105.9(4) .
Cu1 P1 C11 C12 23.2(5) .
C16 C11 C12 C13 -0.8(8) .
P1 C11 C12 C13 177.6(4) .
C11 C12 C13 C14 1.1(9) .
C12 C13 C14 C15 -0.1(9) .
C13 C14 C15 C16 -1.2(9) .
C12 C11 C16 C15 -0.5(8) .
P1 C11 C16 C15 -178.8(4) .
C14 C15 C16 C11 1.5(8) .
C31 P1 C21 C22 27.7(5) .
C11 P1 C21 C22 135.1(5) .
Cu1 P1 C21 C22 -97.9(4) .
C31 P1 C21 C26 -160.8(4) .
C11 P1 C21 C26 -53.5(4) .
Cu1 P1 C21 C26 73.6(4) .
C26 C21 C22 C23 -1.3(8) .
P1 C21 C22 C23 170.0(4) .
C21 C22 C23 C24 0.8(9) .
C22 C23 C24 C25 -0.3(10) .
C23 C24 C25 C26 0.2(10) .
C24 C25 C26 C21 -0.7(9) .
C22 C21 C26 C25 1.2(8) .
P1 C21 C26 C25 -170.8(4) .
C21 P1 C31 C36 -144.0(4) .
C11 P1 C31 C36 108.5(4) .
Cu1 P1 C31 C36 -23.0(5) .
C21 P1 C31 C32 39.4(5) .
C11 P1 C31 C32 -68.2(5) .
Cu1 P1 C31 C32 160.4(4) .
C36 C31 C32 C33 -1.2(9) .
P1 C31 C32 C33 175.3(5) .
C31 C32 C33 C34 0.3(10) .
C32 C33 C34 C35 0.8(10) .
C33 C34 C35 C36 -1.1(9) .
C32 C31 C36 C35 0.9(8) .
P1 C31 C36 C35 -175.8(4) .
C34 C35 C36 C31 0.2(9) .
C51 P2 C41 C42 144.9(4) .
C61 P2 C41 C42 -106.4(4) .
Cu1 P2 C41 C42 23.4(5) .
C51 P2 C41 C46 -40.8(5) .
C61 P2 C41 C46 68.0(5) .
Cu1 P2 C41 C46 -162.3(4) .
C46 C41 C42 C43 0.8(8) .
P2 C41 C42 C43 175.3(4) .
C41 C42 C43 C44 0.5(9) .
C42 C43 C44 C45 -0.8(9) .
C43 C44 C45 C46 -0.2(9) .
C44 C45 C46 C41 1.5(8) .
C42 C41 C46 C45 -1.8(8) .
P2 C41 C46 C45 -176.1(4) .
C41 P2 C51 C52 -28.9(5) .
C61 P2 C51 C52 -135.0(5) .
Cu1 P2 C51 C52 97.4(5) .
C41 P2 C51 C56 157.7(4) .
C61 P2 C51 C56 51.6(4) .
Cu1 P2 C51 C56 -76.0(4) .
C56 C51 C52 C53 1.8(9) .
P2 C51 C52 C53 -171.5(5) .
C51 C52 C53 C54 0.2(11) .
C52 C53 C54 C55 -1.6(11) .
C53 C54 C55 C56 1.0(10) .
C54 C55 C56 C51 1.0(9) .
C52 C51 C56 C55 -2.4(8) .
P2 C51 C56 C55 171.3(4) .
C41 P2 C61 C66 88.2(4) .
C51 P2 C61 C66 -162.0(4) .
Cu1 P2 C61 C66 -40.4(4) .
C41 P2 C61 C62 -86.1(4) .
C51 P2 C61 C62 23.6(5) .
Cu1 P2 C61 C62 145.3(4) .
C66 C61 C62 C63 1.9(8) .
P2 C61 C62 C63 176.1(4) .
C61 C62 C63 C64 -2.5(8) .
C62 C63 C64 C65 1.6(9) .
C63 C64 C65 C66 -0.2(9) .
C62 C61 C66 C65 -0.5(8) .
P2 C61 C66 C65 -175.0(4) .
C64 C65 C66 C61 -0.4(8) .
