#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/17/2211728.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_2211728
loop_
_publ_author_name
'Chen, Jian-Hua'
'Song, Li-Qiang'
'Wang, De-Hui'
'Zhang, Jun-Feng'
'Fu, Wen-Fu'
_publ_section_title
;(μ-4,4'-Bipyridine-κ²N:N')bis[(1,10-phenanthroline-κ²N,N')(triphenylphosphine-κP)copper(I)]
 bis(tetrafluoroborate)
;
_journal_coeditor_code           BI2107
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m34
_journal_page_last               m35
_journal_paper_doi               10.1107/S160053680605149X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cu2 (C10 H8 N2) (C12 H8 N2)2 (C18 H15 P)2] (B F4)2'
_chemical_formula_moiety         'C70 H54 Cu2 N6 P2 2+, 2(B F4 -)'
_chemical_formula_sum            'C70 H54 B2 Cu2 F8 N6 P2'
_chemical_formula_weight         1341.83
_chemical_name_systematic
;
(μ-4,4'-Bipyridine-κ²N:N')bis[(1,10-phenanthroline-
κ²N,N')(triphenylphosphine-\kP)copper(I)] bis(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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.495(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.192(7)
_cell_length_b                   15.372(7)
_cell_length_c                   14.515(6)
_cell_measurement_reflns_used    885
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.21
_cell_measurement_theta_min      2.44
_cell_volume                     3164(2)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0580
_diffrn_reflns_av_sigmaI/netI    0.0802
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17926
_diffrn_reflns_theta_full        26.53
_diffrn_reflns_theta_max         26.53
_diffrn_reflns_theta_min         1.93
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6518
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.0582
_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)+(0.0746P)²+1.4838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1628
_reflns_number_gt                3572
_reflns_number_total             6518
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi2107.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2211728
_cod_database_fobs_code          2211728
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_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
Cu Cu1 0.84510(4) 0.18547(3) 0.61886(4) 0.04451(19) Uani d . 1
P P1 0.72864(8) 0.22427(7) 0.70523(8) 0.0441(3) Uani d . 1
N N1 0.8246(3) 0.0785(2) 0.5380(2) 0.0473(9) Uani d . 1
N N2 0.9533(2) 0.1068(2) 0.6760(3) 0.0476(9) Uani d . 1
N N3 0.9052(2) 0.2946(2) 0.5637(2) 0.0450(9) Uani d . 1
C C1 0.7596(4) 0.0646(4) 0.4717(3) 0.0728(15) Uani d . 1
H H1 0.7193 0.1099 0.4540 0.087 Uiso calc R 1
C C2 0.7492(5) -0.0153(5) 0.4275(4) 0.100(2) Uani d . 1
H H2 0.7021 -0.0232 0.3816 0.120 Uiso calc R 1
C C3 0.8075(6) -0.0809(5) 0.4515(5) 0.105(3) Uani d . 1
H H3 0.8009 -0.1341 0.4214 0.126 Uiso calc R 1
C C4 0.8776(4) -0.0708(3) 0.5206(4) 0.0724(17) Uani d . 1
C C5 0.9435(6) -0.1358(4) 0.5506(6) 0.101(3) Uani d . 1
H H5 0.9400 -0.1904 0.5232 0.121 Uiso calc R 1
C C6 1.0094(5) -0.1214(4) 0.6157(6) 0.102(3) Uani d . 1
H H6 1.0526 -0.1650 0.6314 0.122 Uiso calc R 1
C C7 1.0151(4) -0.0401(4) 0.6622(4) 0.0723(17) Uani d . 1
C C8 1.0805(4) -0.0218(5) 0.7342(5) 0.096(2) Uani d . 1
H H8 1.1232 -0.0643 0.7544 0.115 Uiso calc R 1
C C9 1.0820(4) 0.0568(6) 0.7743(5) 0.093(2) Uani d . 1
H H9 1.1255 0.0690 0.8223 0.111 Uiso calc R 1
C C10 1.0175(3) 0.1202(4) 0.7432(4) 0.0670(14) Uani d . 1
H H10 1.0199 0.1746 0.7712 0.080 Uiso calc R 1
C C11 0.9512(3) 0.0266(3) 0.6350(3) 0.0503(12) Uani d . 1
C C12 0.8824(3) 0.0113(3) 0.5629(3) 0.0497(12) Uani d . 1
C C13 0.9869(3) 0.3240(3) 0.5990(4) 0.0569(12) Uani d . 1
H H13 1.0198 0.2894 0.6420 0.068 Uiso calc R 1
C C14 1.0258(3) 0.4027(3) 0.5758(3) 0.0540(12) Uani d . 1
H H14 1.0837 0.4193 0.6027 0.065 Uiso calc R 1
C C15 0.9799(3) 0.4567(2) 0.5133(3) 0.0396(10) Uani d . 1
C C16 0.8957(3) 0.4258(3) 0.4763(3) 0.0650(14) Uani d . 1
H H16 0.8615 0.4589 0.4329 0.078 Uiso calc R 1
C C17 0.8615(4) 0.3457(3) 0.5029(4) 0.0656(14) Uani d . 1
H H17 0.8043 0.3269 0.4763 0.079 Uiso calc R 1
C C18 0.6229(3) 0.1576(3) 0.7100(3) 0.0509(11) Uani d . 1
C C19 0.6280(4) 0.0705(3) 0.6881(4) 0.0690(14) Uani d . 1
H H19 0.6838 0.0473 0.6675 0.083 Uiso calc R 1
C C20 0.5499(5) 0.0174(4) 0.6968(5) 0.100(2) Uani d . 1
H H20 0.5539 -0.0417 0.6834 0.120 Uiso calc R 1
C C21 0.4681(5) 0.0510(5) 0.7246(5) 0.102(2) Uani d . 1
H H21 0.4161 0.0149 0.7304 0.123 Uiso calc R 1
C C22 0.4611(4) 0.1373(5) 0.7442(4) 0.092(2) Uani d . 1
H H22 0.4041 0.1600 0.7625 0.111 Uiso calc R 1
C C23 0.5376(3) 0.1908(4) 0.7370(4) 0.0701(15) Uani d . 1
H H23 0.5322 0.2497 0.7503 0.084 Uiso calc R 1
C C24 0.7702(3) 0.2359(3) 0.8251(3) 0.0494(11) Uani d . 1
C C25 0.7269(4) 0.1995(3) 0.8988(4) 0.0644(14) Uani d . 1
H H25 0.6687 0.1722 0.8900 0.077 Uiso calc R 1
C C26 0.7705(5) 0.2034(4) 0.9870(4) 0.0865(19) Uani d . 1
H H26 0.7412 0.1778 1.0362 0.104 Uiso calc R 1
C C27 0.8534(5) 0.2434(4) 1.0018(5) 0.093(2) Uani d . 1
H H27 0.8806 0.2466 1.0612 0.112 Uiso calc R 1
C C28 0.8985(5) 0.2798(4) 0.9293(5) 0.0874(18) Uani d . 1
H H28 0.9564 0.3074 0.9393 0.105 Uiso calc R 1
C C29 0.8576(4) 0.2751(3) 0.8421(4) 0.0675(14) Uani d . 1
H H29 0.8890 0.2987 0.7931 0.081 Uiso calc R 1
C C30 0.6806(3) 0.3289(3) 0.6666(3) 0.0474(11) Uani d . 1
C C31 0.7023(3) 0.4066(3) 0.7095(3) 0.0579(12) Uani d . 1
H H31 0.7368 0.4066 0.7654 0.069 Uiso calc R 1
C C32 0.6733(4) 0.4851(3) 0.6703(5) 0.0768(16) Uani d . 1
H H32 0.6882 0.5373 0.6999 0.092 Uiso calc R 1
C C33 0.6228(4) 0.4855(4) 0.5883(5) 0.0854(18) Uani d . 1
H H33 0.6040 0.5379 0.5614 0.102 Uiso calc R 1
C C34 0.5998(4) 0.4083(5) 0.5454(5) 0.0907(19) Uani d . 1
H H34 0.5643 0.4084 0.4900 0.109 Uiso calc R 1
C C35 0.6292(4) 0.3308(3) 0.5845(4) 0.0736(15) Uani d . 1
H H35 0.6140 0.2788 0.5547 0.088 Uiso calc R 1
B B1 0.6996(5) 0.2007(5) 0.2675(6) 0.080(2) Uani d . 1
F F1 0.6244(4) 0.1931(4) 0.3168(4) 0.194(3) Uani d . 1
F F2 0.7778(4) 0.2170(3) 0.3161(4) 0.159(2) Uani d . 1
F F3 0.7113(3) 0.1178(3) 0.2326(4) 0.1578(19) Uani d . 1
F F4 0.6833(3) 0.2545(2) 0.1956(2) 0.1069(12) Uani d . 1
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
N1 Cu1 N3 . 119.04(14) yes
N1 Cu1 N2 . 81.13(15) yes
N3 Cu1 N2 . 108.35(14) yes
N1 Cu1 P1 . 117.14(10) yes
N3 Cu1 P1 . 109.56(10) yes
N2 Cu1 P1 . 119.09(11) yes
C24 P1 C18 . 104.6(2) ?
C24 P1 C30 . 107.9(2) ?
C18 P1 C30 . 102.2(2) ?
C24 P1 Cu1 . 110.55(15) ?
C18 P1 Cu1 . 120.67(16) ?
C30 P1 Cu1 . 110.08(15) ?
C1 N1 C12 . 117.7(4) ?
C1 N1 Cu1 . 129.0(4) ?
C12 N1 Cu1 . 113.1(3) ?
C10 N2 C11 . 117.5(4) ?
C10 N2 Cu1 . 132.2(3) ?
C11 N2 Cu1 . 110.3(3) ?
C17 N3 C13 . 115.8(4) ?
C17 N3 Cu1 . 123.7(3) ?
C13 N3 Cu1 . 119.8(3) ?
N1 C1 C2 . 122.4(6) ?
N1 C1 H1 . 118.8 ?
C2 C1 H1 . 118.8 ?
C3 C2 C1 . 119.5(6) ?
C3 C2 H2 . 120.3 ?
C1 C2 H2 . 120.3 ?
C2 C3 C4 . 121.2(6) ?
C2 C3 H3 . 119.4 ?
C4 C3 H3 . 119.4 ?
C3 C4 C12 . 115.8(6) ?
C3 C4 C5 . 125.7(6) ?
C12 C4 C5 . 118.6(6) ?
C6 C5 C4 . 122.5(7) ?
C6 C5 H5 . 118.7 ?
C4 C5 H5 . 118.7 ?
C5 C6 C7 . 120.8(7) ?
C5 C6 H6 . 119.6 ?
C7 C6 H6 . 119.6 ?
C8 C7 C11 . 117.4(6) ?
C8 C7 C6 . 123.7(6) ?
C11 C7 C6 . 118.9(6) ?
C9 C8 C7 . 120.3(6) ?
C9 C8 H8 . 119.9 ?
C7 C8 H8 . 119.9 ?
C8 C9 C10 . 119.4(6) ?
C8 C9 H9 . 120.3 ?
C10 C9 H9 . 120.3 ?
N2 C10 C9 . 123.4(6) ?
N2 C10 H10 . 118.3 ?
C9 C10 H10 . 118.3 ?
N2 C11 C7 . 122.1(5) ?
N2 C11 C12 . 118.0(4) ?
C7 C11 C12 . 119.8(5) ?
N1 C12 C4 . 123.4(5) ?
N1 C12 C11 . 117.3(4) ?
C4 C12 C11 . 119.3(5) ?
N3 C13 C14 . 123.8(4) ?
N3 C13 H13 . 118.1 ?
C14 C13 H13 . 118.1 ?
C15 C14 C13 . 120.6(4) ?
C15 C14 H14 . 119.7 ?
C13 C14 H14 . 119.7 ?
C14 C15 C16 . 115.4(4) ?
C14 C15 C15 3_766 122.1(5) ?
C16 C15 C15 3_766 122.6(5) ?
C15 C16 C17 . 120.5(4) ?
C15 C16 H16 . 119.7 ?
C17 C16 H16 . 119.7 ?
N3 C17 C16 . 123.8(5) ?
N3 C17 H17 . 118.1 ?
C16 C17 H17 . 118.1 ?
C19 C18 C23 . 118.5(5) ?
C19 C18 P1 . 119.1(4) ?
C23 C18 P1 . 122.4(4) ?
C18 C19 C20 . 120.1(5) ?
C18 C19 H19 . 120.0 ?
C20 C19 H19 . 120.0 ?
C21 C20 C19 . 120.2(6) ?
C21 C20 H20 . 119.9 ?
C19 C20 H20 . 119.9 ?
C20 C21 C22 . 120.5(6) ?
C20 C21 H21 . 119.7 ?
C22 C21 H21 . 119.7 ?
C21 C22 C23 . 120.3(6) ?
C21 C22 H22 . 119.9 ?
C23 C22 H22 . 119.9 ?
C22 C23 C18 . 120.4(5) ?
C22 C23 H23 . 119.8 ?
C18 C23 H23 . 119.8 ?
C25 C24 C29 . 117.6(5) ?
C25 C24 P1 . 124.5(4) ?
C29 C24 P1 . 117.4(4) ?
C24 C25 C26 . 119.9(5) ?
C24 C25 H25 . 120.0 ?
C26 C25 H25 . 120.0 ?
C27 C26 C25 . 121.3(6) ?
C27 C26 H26 . 119.4 ?
C25 C26 H26 . 119.4 ?
C26 C27 C28 . 120.0(6) ?
C26 C27 H27 . 120.0 ?
C28 C27 H27 . 120.0 ?
C29 C28 C27 . 119.5(6) ?
C29 C28 H28 . 120.2 ?
C27 C28 H28 . 120.2 ?
C28 C29 C24 . 121.7(6) ?
C28 C29 H29 . 119.2 ?
C24 C29 H29 . 119.2 ?
C35 C30 C31 . 118.3(4) ?
C35 C30 P1 . 117.6(4) ?
C31 C30 P1 . 123.6(4) ?
C30 C31 C32 . 120.9(5) ?
C30 C31 H31 . 119.6 ?
C32 C31 H31 . 119.6 ?
C33 C32 C31 . 119.8(5) ?
C33 C32 H32 . 120.1 ?
C31 C32 H32 . 120.1 ?
C32 C33 C34 . 119.9(5) ?
C32 C33 H33 . 120.0 ?
C34 C33 H33 . 120.0 ?
C33 C34 C35 . 119.9(6) ?
C33 C34 H34 . 120.0 ?
C35 C34 H34 . 120.0 ?
C30 C35 C34 . 121.2(5) ?
C30 C35 H35 . 119.4 ?
C34 C35 H35 . 119.4 ?
F2 B1 F1 . 114.2(7) ?
F2 B1 F4 . 114.4(7) ?
F1 B1 F4 . 111.1(5) ?
F2 B1 F3 . 105.1(5) ?
F1 B1 F3 . 103.4(7) ?
F4 B1 F3 . 107.6(6) ?
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 . 2.033(4) yes
Cu1 N3 . 2.060(3) yes
Cu1 N2 . 2.096(4) yes
Cu1 P1 . 2.1999(14) yes
P1 C24 . 1.822(5) ?
P1 C18 . 1.821(5) ?
P1 C30 . 1.826(4) ?
N1 C1 . 1.322(6) ?
N1 C12 . 1.358(5) ?
N2 C10 . 1.322(6) ?
N2 C11 . 1.369(6) ?
N3 C17 . 1.316(6) ?
N3 C13 . 1.325(5) ?
C1 C2 . 1.391(8) ?
C1 H1 . 0.930 ?
C2 C3 . 1.340(10) ?
C2 H2 . 0.930 ?
C3 C4 . 1.391(9) ?
C3 H3 . 0.930 ?
C4 C12 . 1.405(6) ?
C4 C5 . 1.423(9) ?
C5 C6 . 1.319(9) ?
C5 H5 . 0.930 ?
C6 C7 . 1.420(9) ?
C6 H6 . 0.930 ?
C7 C8 . 1.395(9) ?
C7 C11 . 1.414(6) ?
C8 C9 . 1.341(9) ?
C8 H8 . 0.930 ?
C9 C10 . 1.398(8) ?
C9 H9 . 0.930 ?
C10 H10 . 0.930 ?
C11 C12 . 1.420(6) ?
C13 C14 . 1.378(6) ?
C13 H13 . 0.930 ?
C14 C15 . 1.373(6) ?
C14 H14 . 0.930 ?
C15 C16 . 1.374(6) ?
C15 C15 3_766 1.504(8) ?
C16 C17 . 1.385(6) ?
C16 H16 . 0.930 ?
C17 H17 . 0.930 ?
C18 C19 . 1.379(6) ?
C18 C23 . 1.386(6) ?
C19 C20 . 1.387(7) ?
C19 H19 . 0.930 ?
C20 C21 . 1.347(9) ?
C20 H20 . 0.930 ?
C21 C22 . 1.362(9) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.369(8) ?
C22 H22 . 0.930 ?
C23 H23 . 0.930 ?
C24 C25 . 1.375(6) ?
C24 C29 . 1.391(7) ?
C25 C26 . 1.398(8) ?
C25 H25 . 0.930 ?
C26 C27 . 1.338(9) ?
C26 H26 . 0.930 ?
C27 C28 . 1.374(9) ?
C27 H27 . 0.930 ?
C28 C29 . 1.372(8) ?
C28 H28 . 0.930 ?
C29 H29 . 0.930 ?
C30 C35 . 1.370(7) ?
C30 C31 . 1.376(6) ?
C31 C32 . 1.389(7) ?
C31 H31 . 0.930 ?
C32 C33 . 1.362(8) ?
C32 H32 . 0.930 ?
C33 C34 . 1.372(8) ?
C33 H33 . 0.930 ?
C34 C35 . 1.377(7) ?
C34 H34 . 0.930 ?
C35 H35 . 0.930 ?
B1 F2 . 1.313(8) ?
B1 F1 . 1.317(8) ?
B1 F4 . 1.344(7) ?
B1 F3 . 1.383(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
N1 Cu1 P1 C24 . . 127.1(2)
N3 Cu1 P1 C24 . . -93.35(19)
N2 Cu1 P1 C24 . . 32.1(2)
N1 Cu1 P1 C18 . . 4.8(2)
N3 Cu1 P1 C18 . . 144.3(2)
N2 Cu1 P1 C18 . . -90.2(2)
N1 Cu1 P1 C30 . . -113.7(2)
N3 Cu1 P1 C30 . . 25.8(2)
N2 Cu1 P1 C30 . . 151.3(2)
N3 Cu1 N1 C1 . . -75.7(4)
N2 Cu1 N1 C1 . . 178.2(4)
P1 Cu1 N1 C1 . . 60.0(4)
N3 Cu1 N1 C12 . . 110.2(3)
N2 Cu1 N1 C12 . . 4.1(3)
P1 Cu1 N1 C12 . . -114.2(3)
N1 Cu1 N2 C10 . . 179.3(4)
N3 Cu1 N2 C10 . . 61.5(4)
P1 Cu1 N2 C10 . . -64.5(4)
N1 Cu1 N2 C11 . . -3.1(3)
N3 Cu1 N2 C11 . . -120.9(3)
P1 Cu1 N2 C11 . . 113.1(3)
N1 Cu1 N3 C17 . . 71.9(4)
N2 Cu1 N3 C17 . . 161.8(4)
P1 Cu1 N3 C17 . . -66.7(4)
N1 Cu1 N3 C13 . . -118.1(3)
N2 Cu1 N3 C13 . . -28.2(4)
P1 Cu1 N3 C13 . . 103.2(3)
C12 N1 C1 C2 . . -0.2(7)
Cu1 N1 C1 C2 . . -174.2(4)
N1 C1 C2 C3 . . -0.8(10)
C1 C2 C3 C4 . . 0.7(10)
C2 C3 C4 C12 . . 0.4(9)
C2 C3 C4 C5 . . -179.3(6)
C3 C4 C5 C6 . . 178.9(6)
C12 C4 C5 C6 . . -0.8(9)
C4 C5 C6 C7 . . 2.6(10)
C5 C6 C7 C8 . . 177.4(6)
C5 C6 C7 C11 . . -2.5(8)
C11 C7 C8 C9 . . -0.6(8)
C6 C7 C8 C9 . . 179.5(6)
C7 C8 C9 C10 . . -0.1(9)
C11 N2 C10 C9 . . -0.5(7)
Cu1 N2 C10 C9 . . 177.0(4)
C8 C9 C10 N2 . . 0.7(9)
C10 N2 C11 C7 . . -0.3(6)
Cu1 N2 C11 C7 . . -178.3(3)
C10 N2 C11 C12 . . 179.8(4)
Cu1 N2 C11 C12 . . 1.8(4)
C8 C7 C11 N2 . . 0.9(7)
C6 C7 C11 N2 . . -179.3(4)
C8 C7 C11 C12 . . -179.2(4)
C6 C7 C11 C12 . . 0.7(6)
C1 N1 C12 C4 . . 1.4(6)
Cu1 N1 C12 C4 . . 176.3(3)
C1 N1 C12 C11 . . -179.2(4)
Cu1 N1 C12 C11 . . -4.4(4)
C3 C4 C12 N1 . . -1.5(7)
C5 C4 C12 N1 . . 178.2(4)
C3 C4 C12 C11 . . 179.2(4)
C5 C4 C12 C11 . . -1.1(6)
N2 C11 C12 N1 . . 1.7(5)
C7 C11 C12 N1 . . -178.2(4)
N2 C11 C12 C4 . . -179.0(4)
C7 C11 C12 C4 . . 1.1(6)
C17 N3 C13 C14 . . 0.3(7)
Cu1 N3 C13 C14 . . -170.4(4)
N3 C13 C14 C15 . . 0.5(7)
C13 C14 C15 C16 . . -1.0(7)
C13 C14 C15 C15 . 3_766 179.7(5)
C14 C15 C16 C17 . . 0.8(7)
C15 C15 C16 C17 3_766 . 180.0(5)
C13 N3 C17 C16 . . -0.6(8)
Cu1 N3 C17 C16 . . 169.7(4)
C15 C16 C17 N3 . . 0.0(9)
C24 P1 C18 C19 . . -102.0(4)
C30 P1 C18 C19 . . 145.6(4)
Cu1 P1 C18 C19 . . 23.2(5)
C24 P1 C18 C23 . . 76.6(5)
C30 P1 C18 C23 . . -35.9(5)
Cu1 P1 C18 C23 . . -158.3(4)
C23 C18 C19 C20 . . -2.6(8)
P1 C18 C19 C20 . . 176.0(5)
C18 C19 C20 C21 . . 1.6(10)
C19 C20 C21 C22 . . 0.2(11)
C20 C21 C22 C23 . . -0.9(10)
C21 C22 C23 C18 . . -0.2(9)
C19 C18 C23 C22 . . 1.9(8)
P1 C18 C23 C22 . . -176.6(4)
C18 P1 C24 C25 . . 0.4(4)
C30 P1 C24 C25 . . 108.6(4)
Cu1 P1 C24 C25 . . -131.0(4)
C18 P1 C24 C29 . . 172.1(4)
C30 P1 C24 C29 . . -79.7(4)
Cu1 P1 C24 C29 . . 40.8(4)
C29 C24 C25 C26 . . 0.6(7)
P1 C24 C25 C26 . . 172.3(4)
C24 C25 C26 C27 . . 1.1(8)
C25 C26 C27 C28 . . -1.5(9)
C26 C27 C28 C29 . . 0.3(10)
C27 C28 C29 C24 . . 1.4(9)
C25 C24 C29 C28 . . -1.8(8)
P1 C24 C29 C28 . . -174.1(4)
C24 P1 C30 C35 . . -167.8(4)
C18 P1 C30 C35 . . -57.9(4)
Cu1 P1 C30 C35 . . 71.5(4)
C24 P1 C30 C31 . . 20.1(4)
C18 P1 C30 C31 . . 130.0(4)
Cu1 P1 C30 C31 . . -100.7(4)
C35 C30 C31 C32 . . -0.4(7)
P1 C30 C31 C32 . . 171.7(4)
C30 C31 C32 C33 . . -0.1(8)
C31 C32 C33 C34 . . 0.9(9)
C32 C33 C34 C35 . . -1.2(10)
C31 C30 C35 C34 . . 0.1(8)
P1 C30 C35 C34 . . -172.5(5)
C33 C34 C35 C30 . . 0.7(9)
