#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:58:04 +0100 (jue 07 de nov de 2019) $
#$Revision: 224149 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/86/7048649.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_7048649
loop_
_publ_author_name
'Gradiski, Matthew V.'
'Tsui, Brian T. H.'
'Lough, Alan J.'
'Morris, Robert H.'
_publ_section_title
;
 PNN' & P₂NN' ligands via reductive amination with
 phosphine aldehydes: synthesis and base-metal coordination chemistry.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2150
_journal_page_last               2159
_journal_paper_doi               10.1039/c8dt04058c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C38 H62 Cl4 Co2 N4 P2, 2(C7 H8)'
_chemical_formula_sum            'C52 H78 Cl4 Co2 N4 P2'
_chemical_formula_weight         1080.78
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-10-09 deposited with the CCDC.
2019-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                103.832(3)
_cell_angle_beta                 97.260(3)
_cell_angle_gamma                94.369(6)
_cell_formula_units_Z            1
_cell_length_a                   8.1738(5)
_cell_length_b                   10.2012(5)
_cell_length_c                   17.1703(11)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      2.47
_cell_volume                     1370.60(14)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33862
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.631
_diffrn_reflns_theta_min         2.069
_diffrn_source
'sealed tube with Bruker Triumph monochromator'
_exptl_absorpt_coefficient_mu    0.896
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_description       Block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.359
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         6311
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0221P)²+3.6058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1196
_refine_ls_wR_factor_ref         0.1299
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4665
_reflns_number_total             6311
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04058c2.cif
_cod_data_source_block           4_d17166_a
_cod_depositor_comments
'Adding full bibliography for 7048646--7048653.cif.'
_cod_database_code               7048649
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Co1 Co 0.66811(6) 0.41362(6) 0.68463(3) 0.03053(14) Uani 1 1 d . .
Cl1 Cl 0.74831(14) 0.32694(13) 0.78869(6) 0.0495(3) Uani 1 1 d . .
Cl2 Cl 0.77082(12) 0.32592(12) 0.56960(6) 0.0434(3) Uani 1 1 d . .
P1 P 0.37381(11) 0.37689(9) 0.65528(5) 0.02247(19) Uani 1 1 d . .
N1 N 0.7281(3) 0.6208(3) 0.71896(17) 0.0302(7) Uani 1 1 d . .
N2 N 0.6972(4) 0.6350(4) 0.58639(18) 0.0356(8) Uani 1 1 d . .
C1 C 0.7511(4) 0.6814(5) 0.7997(2) 0.0364(9) Uani 1 1 d . .
H1A H 0.763391 0.625613 0.836724 0.044 Uiso 1 1 calc R U
C2 C 0.7573(5) 0.8181(5) 0.8303(2) 0.0427(10) Uani 1 1 d . .
H2A H 0.777488 0.857204 0.887127 0.051 Uiso 1 1 calc R U
C3 C 0.7329(5) 0.8993(5) 0.7754(2) 0.0423(10) Uani 1 1 d . .
H3A H 0.732751 0.994663 0.794850 0.051 Uiso 1 1 calc R U
C4 C 0.7092(4) 0.8404(4) 0.6932(2) 0.0344(9) Uani 1 1 d . .
H4A H 0.691055 0.894448 0.655557 0.041 Uiso 1 1 calc R U
C5 C 0.7121(4) 0.7009(4) 0.6659(2) 0.0297(8) Uani 1 1 d . .
C6 C 0.6771(5) 0.7009(4) 0.5202(2) 0.0303(8) Uani 1 1 d . .
H6A H 0.754140 0.785478 0.533147 0.036 Uiso 1 1 calc R U
H6B H 0.562153 0.724513 0.511136 0.036 Uiso 1 1 calc R U
C7 C 0.7149(5) 0.6021(4) 0.4445(2) 0.0293(8) Uani 1 1 d . .
H7A H 0.676377 0.509103 0.447197 0.035 Uiso 1 1 calc R U
H7B H 0.836986 0.607741 0.447004 0.035 Uiso 1 1 calc R U
C11 C 0.2961(4) 0.2074(4) 0.6636(2) 0.0273(7) Uani 1 1 d . .
H11A H 0.324330 0.206530 0.721896 0.033 Uiso 1 1 calc R U
C12 C 0.3843(5) 0.0936(4) 0.6138(2) 0.0375(9) Uani 1 1 d . .
H12A H 0.362341 0.092532 0.555645 0.045 Uiso 1 1 calc R U
H12B H 0.505587 0.111979 0.631695 0.045 Uiso 1 1 calc R U
C13 C 0.3216(6) -0.0450(4) 0.6254(3) 0.0465(11) Uani 1 1 d . .
H13A H 0.374799 -0.116891 0.591083 0.056 Uiso 1 1 calc R U
H13B H 0.353653 -0.046648 0.682677 0.056 Uiso 1 1 calc R U
C14 C 0.1357(6) -0.0740(4) 0.6031(3) 0.0494(12) Uani 1 1 d . .
H14A H 0.098952 -0.162446 0.613138 0.059 Uiso 1 1 calc R U
H14B H 0.104524 -0.080381 0.544628 0.059 Uiso 1 1 calc R U
C15 C 0.0486(6) 0.0359(4) 0.6519(3) 0.0455(11) Uani 1 1 d . .
H15A H 0.070402 0.035920 0.709926 0.055 Uiso 1 1 calc R U
H15B H -0.072628 0.016263 0.633877 0.055 Uiso 1 1 calc R U
C16 C 0.1078(4) 0.1764(4) 0.6419(3) 0.0336(8) Uani 1 1 d . .
H16A H 0.074128 0.179807 0.585000 0.040 Uiso 1 1 calc R U
H16B H 0.054193 0.246440 0.677271 0.040 Uiso 1 1 calc R U
C21 C 0.2592(4) 0.4945(3) 0.72188(19) 0.0218(7) Uani 1 1 d . .
H21A H 0.138098 0.465088 0.703386 0.026 Uiso 1 1 calc R U
C22 C 0.2922(4) 0.6416(4) 0.7152(2) 0.0283(8) Uani 1 1 d . .
H22A H 0.411891 0.673308 0.731836 0.034 Uiso 1 1 calc R U
H22B H 0.261852 0.645122 0.658126 0.034 Uiso 1 1 calc R U
C23 C 0.1918(5) 0.7349(4) 0.7689(2) 0.0335(8) Uani 1 1 d . .
H23A H 0.219382 0.829646 0.765944 0.040 Uiso 1 1 calc R U
H23B H 0.072040 0.708885 0.748557 0.040 Uiso 1 1 calc R U
C24 C 0.2267(5) 0.7274(4) 0.8567(2) 0.0386(9) Uani 1 1 d . .
H24A H 0.154337 0.784635 0.889052 0.046 Uiso 1 1 calc R U
H24B H 0.343455 0.763337 0.879066 0.046 Uiso 1 1 calc R U
C25 C 0.1959(5) 0.5819(4) 0.8636(2) 0.0340(9) Uani 1 1 d . .
H25A H 0.076315 0.549709 0.847066 0.041 Uiso 1 1 calc R U
H25B H 0.226046 0.579441 0.920894 0.041 Uiso 1 1 calc R U
C26 C 0.2971(5) 0.4867(4) 0.8104(2) 0.0286(8) Uani 1 1 d . .
H26A H 0.269317 0.392271 0.813826 0.034 Uiso 1 1 calc R U
H26B H 0.416931 0.512860 0.830318 0.034 Uiso 1 1 calc R U
C1S C 0.3598(7) 0.1851(5) -0.0636(3) 0.0574(13) Uani 1 1 d . .
C2S C 0.1986(8) 0.1249(5) -0.0916(3) 0.0682(15) Uani 1 1 d . .
H2SA H 0.179569 0.036632 -0.127426 0.082 Uiso 1 1 calc R U
C3S C 0.0638(9) 0.1924(8) -0.0680(5) 0.090(2) Uani 1 1 d . .
H3SA H -0.045572 0.147474 -0.085226 0.108 Uiso 1 1 calc R U
C4S C 0.0864(9) 0.3168(7) -0.0223(4) 0.0800(19) Uani 1 1 d . .
H4SA H -0.006044 0.364405 -0.009323 0.096 Uiso 1 1 calc R U
C5S C 0.2454(9) 0.3780(6) 0.0067(3) 0.0658(16) Uani 1 1 d . .
H5SA H 0.261847 0.466774 0.041909 0.079 Uiso 1 1 calc R U
C6S C 0.3793(7) 0.3143(5) -0.0139(3) 0.0544(12) Uani 1 1 d . .
H6SA H 0.487761 0.359549 0.006297 0.065 Uiso 1 1 calc R U
C7S C 0.5060(10) 0.1186(9) -0.0853(5) 0.119(3) Uani 1 1 d . .
H7SA H 0.593110 0.186695 -0.089908 0.178 Uiso 1 1 calc R U
H7SB H 0.476063 0.050838 -0.137372 0.178 Uiso 1 1 calc R U
H7SC H 0.546596 0.073900 -0.043260 0.178 Uiso 1 1 calc R U
H2N H 0.717(5) 0.543(4) 0.572(2) 0.031(11) Uiso 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'
Co Co 0.3494 0.9721 '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
_geom_angle_site_symmetry_3
N1 Co1 Cl1 109.19(9) . .
N1 Co1 Cl2 109.65(9) . .
Cl1 Co1 Cl2 115.31(5) . .
N1 Co1 P1 106.04(9) . .
Cl1 Co1 P1 108.19(4) . .
Cl2 Co1 P1 108.03(4) . .
C11 P1 C7 108.60(17) . 2_666
C11 P1 C21 104.32(16) . .
C7 P1 C21 100.26(15) 2_666 .
C11 P1 Co1 111.12(11) . .
C7 P1 Co1 115.02(12) 2_666 .
C21 P1 Co1 116.47(11) . .
C1 N1 C5 118.3(4) . .
C1 N1 Co1 117.2(3) . .
C5 N1 Co1 123.1(2) . .
C5 N2 C6 124.3(4) . .
C5 N2 H2N 120(2) . .
C6 N2 H2N 115(2) . .
N1 C1 C2 123.3(4) . .
N1 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C1 C2 C3 118.1(4) . .
C1 C2 H2A 121.0 . .
C3 C2 H2A 121.0 . .
C4 C3 C2 119.8(4) . .
C4 C3 H3A 120.1 . .
C2 C3 H3A 120.1 . .
C3 C4 C5 119.3(4) . .
C3 C4 H4A 120.4 . .
C5 C4 H4A 120.4 . .
N2 C5 N1 115.5(4) . .
N2 C5 C4 123.4(4) . .
N1 C5 C4 121.1(3) . .
N2 C6 C7 107.7(3) . .
N2 C6 H6A 110.2 . .
C7 C6 H6A 110.2 . .
N2 C6 H6B 110.2 . .
C7 C6 H6B 110.2 . .
H6A C6 H6B 108.5 . .
C6 C7 P1 118.2(3) . 2_666
C6 C7 H7A 107.8 . .
P1 C7 H7A 107.8 2_666 .
C6 C7 H7B 107.8 . .
P1 C7 H7B 107.8 2_666 .
H7A C7 H7B 107.1 . .
C16 C11 C12 110.8(3) . .
C16 C11 P1 113.2(2) . .
C12 C11 P1 112.0(3) . .
C16 C11 H11A 106.8 . .
C12 C11 H11A 106.8 . .
P1 C11 H11A 106.8 . .
C13 C12 C11 110.4(3) . .
C13 C12 H12A 109.6 . .
C11 C12 H12A 109.6 . .
C13 C12 H12B 109.6 . .
C11 C12 H12B 109.6 . .
H12A C12 H12B 108.1 . .
C14 C13 C12 111.4(3) . .
C14 C13 H13A 109.3 . .
C12 C13 H13A 109.3 . .
C14 C13 H13B 109.4 . .
C12 C13 H13B 109.3 . .
H13A C13 H13B 108.0 . .
C13 C14 C15 111.4(4) . .
C13 C14 H14A 109.3 . .
C15 C14 H14A 109.3 . .
C13 C14 H14B 109.3 . .
C15 C14 H14B 109.3 . .
H14A C14 H14B 108.0 . .
C14 C15 C16 111.4(4) . .
C14 C15 H15A 109.3 . .
C16 C15 H15A 109.3 . .
C14 C15 H15B 109.3 . .
C16 C15 H15B 109.3 . .
H15A C15 H15B 108.0 . .
C11 C16 C15 111.3(3) . .
C11 C16 H16A 109.4 . .
C15 C16 H16A 109.4 . .
C11 C16 H16B 109.4 . .
C15 C16 H16B 109.4 . .
H16A C16 H16B 108.0 . .
C26 C21 C22 110.8(3) . .
C26 C21 P1 111.5(2) . .
C22 C21 P1 112.1(2) . .
C26 C21 H21A 107.4 . .
C22 C21 H21A 107.4 . .
P1 C21 H21A 107.4 . .
C23 C22 C21 110.7(3) . .
C23 C22 H22A 109.5 . .
C21 C22 H22A 109.5 . .
C23 C22 H22B 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
C24 C23 C22 111.6(3) . .
C24 C23 H23A 109.3 . .
C22 C23 H23A 109.3 . .
C24 C23 H23B 109.3 . .
C22 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
C23 C24 C25 111.1(3) . .
C23 C24 H24A 109.4 . .
C25 C24 H24A 109.4 . .
C23 C24 H24B 109.4 . .
C25 C24 H24B 109.4 . .
H24A C24 H24B 108.0 . .
C24 C25 C26 111.7(3) . .
C24 C25 H25A 109.3 . .
C26 C25 H25A 109.3 . .
C24 C25 H25B 109.3 . .
C26 C25 H25B 109.3 . .
H25A C25 H25B 107.9 . .
C25 C26 C21 110.3(3) . .
C25 C26 H26A 109.6 . .
C21 C26 H26A 109.6 . .
C25 C26 H26B 109.6 . .
C21 C26 H26B 109.6 . .
H26A C26 H26B 108.1 . .
C6S C1S C2S 117.0(5) . .
C6S C1S C7S 119.8(6) . .
C2S C1S C7S 123.3(6) . .
C1S C2S C3S 120.8(5) . .
C1S C2S H2SA 119.6 . .
C3S C2S H2SA 119.6 . .
C4S C3S C2S 120.7(6) . .
C4S C3S H3SA 119.6 . .
C2S C3S H3SA 119.6 . .
C3S C4S C5S 119.3(6) . .
C3S C4S H4SA 120.4 . .
C5S C4S H4SA 120.4 . .
C6S C5S C4S 121.4(5) . .
C6S C5S H5SA 119.3 . .
C4S C5S H5SA 119.3 . .
C5S C6S C1S 120.7(5) . .
C5S C6S H6SA 119.6 . .
C1S C6S H6SA 119.6 . .
C1S C7S H7SA 109.5 . .
C1S C7S H7SB 109.5 . .
H7SA C7S H7SB 109.5 . .
C1S C7S H7SC 109.5 . .
H7SA C7S H7SC 109.5 . .
H7SB C7S H7SC 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 2.056(3) .
Co1 Cl1 2.2252(11) .
Co1 Cl2 2.2573(11) .
Co1 P1 2.3764(10) .
P1 C11 1.841(4) .
P1 C7 1.842(3) 2_666
P1 C21 1.847(3) .
N1 C1 1.359(4) .
N1 C5 1.363(5) .
N2 C5 1.355(5) .
N2 C6 1.452(5) .
N2 H2N 0.95(4) .
C1 C2 1.362(6) .
C1 H1A 0.9500 .
C2 C3 1.402(6) .
C2 H2A 0.9500 .
C3 C4 1.378(5) .
C3 H3A 0.9500 .
C4 C5 1.390(6) .
C4 H4A 0.9500 .
C6 C7 1.524(5) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C11 C16 1.527(5) .
C11 C12 1.551(5) .
C11 H11A 1.0000 .
C12 C13 1.533(6) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.508(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.512(6) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.533(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C21 C26 1.535(4) .
C21 C22 1.539(5) .
C21 H21A 1.0000 .
C22 C23 1.523(5) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.520(5) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.521(5) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.534(5) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C1S C6S 1.373(7) .
C1S C2S 1.386(8) .
C1S C7S 1.464(8) .
C2S C3S 1.395(9) .
C2S H2SA 0.9500 .
C3S C4S 1.309(9) .
C3S H3SA 0.9500 .
C4S C5S 1.375(9) .
C4S H4SA 0.9500 .
C5S C6S 1.357(8) .
C5S H5SA 0.9500 .
C6S H6SA 0.9500 .
C7S H7SA 0.9800 .
C7S H7SB 0.9800 .
C7S H7SC 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N2 H2N Cl2 0.95(4) 2.28(4) 3.207(4) 166(3)
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_1
_geom_torsion_site_symmetry_4
C5 N1 C1 C2 0.6(5) . .
Co1 N1 C1 C2 -166.0(3) . .
N1 C1 C2 C3 2.3(6) . .
C1 C2 C3 C4 -2.1(6) . .
C2 C3 C4 C5 -0.9(6) . .
C6 N2 C5 N1 179.3(3) . .
C6 N2 C5 C4 0.3(6) . .
C1 N1 C5 N2 177.1(3) . .
Co1 N1 C5 N2 -17.0(4) . .
C1 N1 C5 C4 -3.8(5) . .
Co1 N1 C5 C4 162.0(3) . .
C3 C4 C5 N2 -177.1(4) . .
C3 C4 C5 N1 3.9(5) . .
C5 N2 C6 C7 163.9(3) . .
N2 C6 C7 P1 156.7(3) . 2_666
C7 P1 C11 C16 -50.1(3) 2_666 .
C21 P1 C11 C16 56.1(3) . .
Co1 P1 C11 C16 -177.6(2) . .
C7 P1 C11 C12 76.0(3) 2_666 .
C21 P1 C11 C12 -177.7(2) . .
Co1 P1 C11 C12 -51.4(3) . .
C16 C11 C12 C13 -55.0(4) . .
P1 C11 C12 C13 177.5(3) . .
C11 C12 C13 C14 56.2(5) . .
C12 C13 C14 C15 -57.0(5) . .
C13 C14 C15 C16 56.2(5) . .
C12 C11 C16 C15 54.7(4) . .
P1 C11 C16 C15 -178.5(3) . .
C14 C15 C16 C11 -55.3(5) . .
C11 P1 C21 C26 61.9(3) . .
C7 P1 C21 C26 174.3(3) 2_666 .
Co1 P1 C21 C26 -61.0(3) . .
C11 P1 C21 C22 -173.2(2) . .
C7 P1 C21 C22 -60.8(3) 2_666 .
Co1 P1 C21 C22 63.9(3) . .
C26 C21 C22 C23 -56.4(4) . .
P1 C21 C22 C23 178.3(3) . .
C21 C22 C23 C24 56.0(4) . .
C22 C23 C24 C25 -55.5(4) . .
C23 C24 C25 C26 55.6(4) . .
C24 C25 C26 C21 -56.0(4) . .
C22 C21 C26 C25 56.2(4) . .
P1 C21 C26 C25 -178.2(3) . .
C6S C1S C2S C3S -1.8(8) . .
C7S C1S C2S C3S 179.1(6) . .
C1S C2S C3S C4S 3.7(10) . .
C2S C3S C4S C5S -4.2(10) . .
C3S C4S C5S C6S 2.9(9) . .
C4S C5S C6S C1S -1.1(8) . .
C2S C1S C6S C5S 0.6(7) . .
C7S C1S C6S C5S 179.7(5) . .
