#------------------------------------------------------------------------------
#$Date: 2017-07-25 02:22:46 +0300 (Tue, 25 Jul 2017) $
#$Revision: 198943 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/59/4345916.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_4345916
loop_
_publ_author_name
'Schneider, Leon'
'Sivchik, Vasily'
'Chung, Kun-You'
'Chen, Yi-Ting'
'Karttunen, Antti J.'
'Chou, Pi-Tai'
'Koshevoy, Igor O.'
_publ_section_title
;
 Cyclometalated Platinum(II) Cyanometallates: Luminescent Blocks for
 Coordination Self-Assembly.
;
_journal_name_full               'Inorganic chemistry'
_journal_paper_doi               10.1021/acs.inorgchem.7b00006
_journal_year                    2017
_chemical_formula_moiety         'C64 H50 Ag2 N6 P2 Pt2'
_chemical_formula_sum            'C64 H50 Ag2 N6 P2 Pt2'
_chemical_formula_weight         1570.96
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_audit_creation_date             2016-09-13
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 104.0340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8020(2)
_cell_length_b                   14.8584(4)
_cell_length_c                   19.2882(5)
_cell_measurement_reflns_used    9818
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.55
_cell_measurement_theta_min      2.54
_cell_volume                     2725.32(12)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2010)'
_computing_data_collection       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            57735
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         2.177
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.931
_exptl_absorpt_correction_T_max  0.562
_exptl_absorpt_correction_T_min  0.309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.259
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7939
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0197P)²+1.4173P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0432
_refine_ls_wR_factor_ref         0.0456
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6805
_reflns_number_total             7939
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic7b00006_si_003.cif
_cod_data_source_block           6
_cod_database_code               4345916
_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.
;
_shelx_estimated_absorpt_t_max   0.562
_shelx_estimated_absorpt_t_min   0.309
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31)
2.b Idealised Me refined as rotating group:
 C5ME(H5MA,H5MB,H5MC)
;
_shelx_shelxl_version_number     2016/4
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
Pt1 Pt 0.53261(2) 0.27996(2) 0.51360(2) 0.01931(3) Uani 1 1 d .
Ag1 Ag 0.36522(2) 0.59325(2) 0.58022(2) 0.02166(4) Uani 1 1 d .
P1 P 0.38794(6) 0.66322(4) 0.69456(3) 0.01800(12) Uani 1 1 d .
N1 N 0.2316(3) 0.18772(17) 0.47381(15) 0.0386(6) Uani 1 1 d .
N2 N 0.4066(2) 0.45159(15) 0.56291(12) 0.0277(5) Uani 1 1 d .
N3 N 0.6340(2) 0.17307(14) 0.47989(11) 0.0234(4) Uani 1 1 d .
C1 C 0.3401(3) 0.22160(17) 0.48841(14) 0.0258(5) Uani 1 1 d .
C2 C 0.4530(2) 0.38660(17) 0.54584(13) 0.0223(5) Uani 1 1 d .
C3 C 0.7320(3) 0.33005(17) 0.53552(13) 0.0228(5) Uani 1 1 d .
C4 C 0.7835(3) 0.41262(18) 0.56653(13) 0.0257(5) Uani 1 1 d .
H4 H 0.720144 0.453214 0.580447 0.031 Uiso 1 1 calc R
C5 C 0.9248(3) 0.4371(2) 0.57760(14) 0.0302(6) Uani 1 1 d .
C5ME C 0.9754(3) 0.5254(2) 0.61126(17) 0.0413(7) Uani 1 1 d .
H5MA H 0.902611 0.571194 0.595352 0.062 Uiso 1 1 calc GR
H5MB H 1.061102 0.543253 0.597136 0.062 Uiso 1 1 calc GR
H5MC H 0.995840 0.519690 0.663384 0.062 Uiso 1 1 calc GR
C6 C 1.0163(3) 0.3783(2) 0.55565(16) 0.0344(7) Uani 1 1 d .
H6 H 1.112233 0.394634 0.561864 0.041 Uiso 1 1 calc R
C7 C 0.9700(3) 0.2963(2) 0.52494(15) 0.0313(6) Uani 1 1 d .
H7 H 1.034101 0.257001 0.510257 0.038 Uiso 1 1 calc R
C8 C 0.8295(3) 0.27102(18) 0.51537(13) 0.0245(5) Uani 1 1 d .
C9 C 0.7741(3) 0.18459(18) 0.48568(13) 0.0244(5) Uani 1 1 d .
C10 C 0.8534(3) 0.1145(2) 0.46687(15) 0.0322(6) Uani 1 1 d .
H10 H 0.951433 0.121958 0.471548 0.039 Uiso 1 1 calc R
C11 C 0.7891(3) 0.0349(2) 0.44165(16) 0.0371(7) Uani 1 1 d .
H11 H 0.842222 -0.012751 0.428432 0.045 Uiso 1 1 calc R
C12 C 0.6467(3) 0.0246(2) 0.43559(16) 0.0372(7) Uani 1 1 d .
H12 H 0.600859 -0.030184 0.418328 0.045 Uiso 1 1 calc R
C13 C 0.5724(3) 0.09464(18) 0.45487(14) 0.0292(6) Uani 1 1 d .
H13 H 0.474290 0.087580 0.450440 0.035 Uiso 1 1 calc R
C14 C 0.3261(2) 0.58899(16) 0.75570(13) 0.0200(5) Uani 1 1 d .
C15 C 0.3270(3) 0.49683(17) 0.74359(16) 0.0288(6) Uani 1 1 d .
H15 H 0.357507 0.474298 0.703789 0.035 Uiso 1 1 calc R
C16 C 0.2836(3) 0.43800(19) 0.78929(17) 0.0366(7) Uani 1 1 d .
H16 H 0.285224 0.375046 0.780905 0.044 Uiso 1 1 calc R
C17 C 0.2381(3) 0.4696(2) 0.84690(16) 0.0366(7) Uani 1 1 d .
H17 H 0.209398 0.428723 0.878526 0.044 Uiso 1 1 calc R
C18 C 0.2345(3) 0.5611(2) 0.85825(15) 0.0369(7) Uani 1 1 d .
H18 H 0.201131 0.583289 0.897308 0.044 Uiso 1 1 calc R
C19 C 0.2787(3) 0.62069(19) 0.81351(14) 0.0297(6) Uani 1 1 d .
H19 H 0.276916 0.683561 0.822201 0.036 Uiso 1 1 calc R
C20 C 0.5732(2) 0.67958(16) 0.73656(13) 0.0205(5) Uani 1 1 d .
C21 C 0.6687(3) 0.67881(17) 0.69398(15) 0.0254(5) Uani 1 1 d .
H21 H 0.636000 0.671309 0.643768 0.030 Uiso 1 1 calc R
C22 C 0.8113(3) 0.68887(19) 0.72393(17) 0.0346(7) Uani 1 1 d .
H22 H 0.875760 0.688565 0.694247 0.041 Uiso 1 1 calc R
C23 C 0.8598(3) 0.6993(2) 0.79668(18) 0.0392(7) Uani 1 1 d .
H23 H 0.957548 0.706459 0.817186 0.047 Uiso 1 1 calc R
C24 C 0.7660(3) 0.6994(2) 0.83981(17) 0.0421(8) Uani 1 1 d .
H24 H 0.799444 0.706211 0.890043 0.051 Uiso 1 1 calc R
C25 C 0.6237(3) 0.6896(2) 0.81006(15) 0.0324(6) Uani 1 1 d .
H25 H 0.559740 0.689653 0.840034 0.039 Uiso 1 1 calc R
C26 C 0.3007(3) 0.76820(16) 0.70526(13) 0.0219(5) Uani 1 1 d .
C27 C 0.1557(3) 0.77024(19) 0.68205(17) 0.0323(6) Uani 1 1 d .
H27 H 0.107212 0.719182 0.658561 0.039 Uiso 1 1 calc R
C28 C 0.0805(3) 0.8456(2) 0.69257(18) 0.0412(8) Uani 1 1 d .
H28 H -0.019195 0.845747 0.677226 0.049 Uiso 1 1 calc R
C29 C 0.1507(4) 0.9205(2) 0.72543(18) 0.0417(8) Uani 1 1 d .
H29 H 0.099110 0.972304 0.732747 0.050 Uiso 1 1 calc R
C30 C 0.2943(4) 0.9205(2) 0.74752(19) 0.0439(8) Uani 1 1 d .
H30 H 0.342207 0.972558 0.769517 0.053 Uiso 1 1 calc R
C31 C 0.3705(3) 0.84444(19) 0.73786(16) 0.0343(6) Uani 1 1 d .
H31 H 0.470129 0.844552 0.753524 0.041 Uiso 1 1 calc R
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'
Ag Ag -0.8971 1.1015 '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'
Pt Pt -1.7033 8.3905 '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
N3 Pt1 Ag1 92.13(6) . 3_666
C1 Pt1 Ag1 124.13(8) . 3_666
C1 Pt1 N3 94.98(9) . .
C1 Pt1 C3 175.48(10) . .
C2 Pt1 Ag1 84.12(7) . 3_666
C2 Pt1 N3 174.75(9) . .
C2 Pt1 C1 90.17(10) . .
C2 Pt1 C3 94.34(10) . .
C3 Pt1 Ag1 56.15(7) . 3_666
C3 Pt1 N3 80.51(9) . .
P1 Ag1 Pt1 108.509(16) . 3_666
P1 Ag1 C3 123.89(6) . 3_666
N2 Ag1 Pt1 114.71(6) . 3_666
N2 Ag1 P1 125.37(6) . .
N2 Ag1 C3 110.49(9) . 3_666
C3 Ag1 Pt1 42.99(6) 3_666 3_666
C14 P1 Ag1 111.18(8) . .
C20 P1 Ag1 109.14(8) . .
C20 P1 C14 104.23(11) . .
C26 P1 Ag1 122.40(9) . .
C26 P1 C14 101.92(11) . .
C26 P1 C20 106.38(12) . .
C2 N2 Ag1 162.7(2) . .
C9 N3 Pt1 115.54(17) . .
C13 N3 Pt1 124.82(18) . .
C13 N3 C9 119.6(2) . .
N1 C1 Pt1 179.3(2) . .
N2 C2 Pt1 177.5(2) . .
Pt1 C3 Ag1 80.87(8) . 3_666
C4 C3 Pt1 129.43(18) . .
C4 C3 Ag1 90.10(16) . 3_666
C4 C3 C8 117.4(2) . .
C8 C3 Pt1 113.15(19) . .
C8 C3 Ag1 100.05(16) . 3_666
C3 C4 H4 118.9 . .
C5 C4 C3 122.2(2) . .
C5 C4 H4 118.9 . .
C4 C5 C5ME 120.5(3) . .
C6 C5 C4 118.6(3) . .
C6 C5 C5ME 120.9(3) . .
C5 C5ME H5MA 109.5 . .
C5 C5ME H5MB 109.5 . .
C5 C5ME H5MC 109.5 . .
H5MA C5ME H5MB 109.5 . .
H5MA C5ME H5MC 109.5 . .
H5MB C5ME H5MC 109.5 . .
C5 C6 H6 119.5 . .
C7 C6 C5 121.0(3) . .
C7 C6 H6 119.5 . .
C6 C7 H7 119.8 . .
C6 C7 C8 120.3(3) . .
C8 C7 H7 119.8 . .
C3 C8 C9 116.2(2) . .
C7 C8 C3 120.4(3) . .
C7 C8 C9 123.5(2) . .
N3 C9 C8 114.6(2) . .
N3 C9 C10 119.9(3) . .
C10 C9 C8 125.5(2) . .
C9 C10 H10 120.1 . .
C11 C10 C9 119.8(3) . .
C11 C10 H10 120.1 . .
C10 C11 H11 120.2 . .
C10 C11 C12 119.6(3) . .
C12 C11 H11 120.2 . .
C11 C12 H12 120.5 . .
C13 C12 C11 119.0(3) . .
C13 C12 H12 120.5 . .
N3 C13 C12 122.1(3) . .
N3 C13 H13 118.9 . .
C12 C13 H13 118.9 . .
C15 C14 P1 118.1(2) . .
C19 C14 P1 122.84(19) . .
C19 C14 C15 119.1(2) . .
C14 C15 H15 120.0 . .
C16 C15 C14 120.1(3) . .
C16 C15 H15 120.0 . .
C15 C16 H16 119.7 . .
C17 C16 C15 120.7(3) . .
C17 C16 H16 119.7 . .
C16 C17 H17 120.3 . .
C16 C17 C18 119.3(3) . .
C18 C17 H17 120.3 . .
C17 C18 H18 119.7 . .
C19 C18 C17 120.7(3) . .
C19 C18 H18 119.7 . .
C14 C19 H19 119.9 . .
C18 C19 C14 120.1(3) . .
C18 C19 H19 119.9 . .
C21 C20 P1 118.7(2) . .
C21 C20 C25 118.7(2) . .
C25 C20 P1 122.60(19) . .
C20 C21 H21 119.7 . .
C22 C21 C20 120.7(3) . .
C22 C21 H21 119.7 . .
C21 C22 H22 120.0 . .
C23 C22 C21 120.1(3) . .
C23 C22 H22 120.0 . .
C22 C23 H23 120.1 . .
C22 C23 C24 119.9(3) . .
C24 C23 H23 120.1 . .
C23 C24 H24 119.9 . .
C23 C24 C25 120.2(3) . .
C25 C24 H24 119.9 . .
C20 C25 H25 119.7 . .
C24 C25 C20 120.5(3) . .
C24 C25 H25 119.7 . .
C27 C26 P1 117.2(2) . .
C27 C26 C31 118.8(2) . .
C31 C26 P1 123.9(2) . .
C26 C27 H27 119.6 . .
C28 C27 C26 120.9(3) . .
C28 C27 H27 119.6 . .
C27 C28 H28 120.1 . .
C29 C28 C27 119.8(3) . .
C29 C28 H28 120.1 . .
C28 C29 H29 119.9 . .
C30 C29 C28 120.2(3) . .
C30 C29 H29 119.9 . .
C29 C30 H30 119.9 . .
C29 C30 C31 120.2(3) . .
C31 C30 H30 119.9 . .
C26 C31 H31 120.0 . .
C30 C31 C26 120.0(3) . .
C30 C31 H31 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Ag1 2.9507(2) 3_666
Pt1 N3 2.061(2) .
Pt1 C1 2.026(3) .
Pt1 C2 1.934(3) .
Pt1 C3 2.038(3) .
Ag1 Pt1 2.9506(2) 3_666
Ag1 P1 2.3991(6) .
Ag1 N2 2.185(2) .
Ag1 C3 2.482(2) 3_666
P1 C14 1.823(2) .
P1 C20 1.816(2) .
P1 C26 1.815(2) .
N1 C1 1.149(3) .
N2 C2 1.149(3) .
N3 C9 1.361(3) .
N3 C13 1.347(3) .
C3 Ag1 2.482(2) 3_666
C3 C4 1.404(4) .
C3 C8 1.419(3) .
C4 H4 0.9500 .
C4 C5 1.398(4) .
C5 C5ME 1.494(4) .
C5 C6 1.391(4) .
C5ME H5MA 0.9800 .
C5ME H5MB 0.9800 .
C5ME H5MC 0.9800 .
C6 H6 0.9500 .
C6 C7 1.382(4) .
C7 H7 0.9500 .
C7 C8 1.396(4) .
C8 C9 1.457(4) .
C9 C10 1.399(4) .
C10 H10 0.9500 .
C10 C11 1.372(4) .
C11 H11 0.9500 .
C11 C12 1.381(4) .
C12 H12 0.9500 .
C12 C13 1.373(4) .
C13 H13 0.9500 .
C14 C15 1.390(3) .
C14 C19 1.390(4) .
C15 H15 0.9500 .
C15 C16 1.380(4) .
C16 H16 0.9500 .
C16 C17 1.377(4) .
C17 H17 0.9500 .
C17 C18 1.379(5) .
C18 H18 0.9500 .
C18 C19 1.378(4) .
C19 H19 0.9500 .
C20 C21 1.387(3) .
C20 C25 1.392(4) .
C21 H21 0.9500 .
C21 C22 1.385(4) .
C22 H22 0.9500 .
C22 C23 1.377(4) .
C23 H23 0.9500 .
C23 C24 1.381(4) .
C24 H24 0.9500 .
C24 C25 1.381(4) .
C25 H25 0.9500 .
C26 C27 1.383(4) .
C26 C31 1.392(4) .
C27 H27 0.9500 .
C27 C28 1.382(4) .
C28 H28 0.9500 .
C28 C29 1.379(5) .
C29 H29 0.9500 .
C29 C30 1.369(5) .
C30 H30 0.9500 .
C30 C31 1.391(4) .
C31 H31 0.9500 .
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
Pt1 N3 C9 C8 0.3(3) .
Pt1 N3 C9 C10 177.44(19) .
Pt1 N3 C13 C12 -177.6(2) .
Pt1 C3 C4 C5 -179.6(2) .
Pt1 C3 C8 C7 178.23(19) .
Pt1 C3 C8 C9 -2.4(3) .
Ag1 P1 C14 C15 24.5(2) .
Ag1 P1 C14 C19 -155.7(2) .
Ag1 P1 C20 C21 19.8(2) .
Ag1 P1 C20 C25 -157.8(2) .
Ag1 P1 C26 C27 58.5(2) .
Ag1 P1 C26 C31 -124.3(2) .
Ag1 C3 C4 C5 -101.4(2) 3_666
Ag1 C3 C8 C7 93.9(2) 3_666
Ag1 C3 C8 C9 -86.7(2) 3_666
P1 C14 C15 C16 178.8(2) .
P1 C14 C19 C18 -179.4(2) .
P1 C20 C21 C22 -178.5(2) .
P1 C20 C25 C24 178.2(2) .
P1 C26 C27 C28 175.6(2) .
P1 C26 C31 C30 -176.3(2) .
N3 C9 C10 C11 1.0(4) .
C3 C4 C5 C5ME -179.6(3) .
C3 C4 C5 C6 1.4(4) .
C3 C8 C9 N3 1.4(3) .
C3 C8 C9 C10 -175.5(2) .
C4 C3 C8 C7 -1.5(4) .
C4 C3 C8 C9 177.9(2) .
C4 C5 C6 C7 -1.4(4) .
C5 C6 C7 C8 0.0(4) .
C5ME C5 C6 C7 179.6(3) .
C6 C7 C8 C3 1.5(4) .
C6 C7 C8 C9 -177.8(3) .
C7 C8 C9 N3 -179.3(2) .
C7 C8 C9 C10 3.8(4) .
C8 C3 C4 C5 0.0(4) .
C8 C9 C10 C11 177.7(3) .
C9 N3 C13 C12 0.8(4) .
C9 C10 C11 C12 -0.5(4) .
C10 C11 C12 C13 0.2(4) .
C11 C12 C13 N3 -0.3(4) .
C13 N3 C9 C8 -178.2(2) .
C13 N3 C9 C10 -1.1(4) .
C14 P1 C20 C21 138.7(2) .
C14 P1 C20 C25 -38.9(3) .
C14 P1 C26 C27 -66.4(2) .
C14 P1 C26 C31 110.9(2) .
C14 C15 C16 C17 0.5(4) .
C15 C14 C19 C18 0.5(4) .
C15 C16 C17 C18 0.8(5) .
C16 C17 C18 C19 -1.4(5) .
C17 C18 C19 C14 0.8(4) .
C19 C14 C15 C16 -1.1(4) .
C20 P1 C14 C15 -93.0(2) .
C20 P1 C14 C19 86.9(2) .
C20 P1 C26 C27 -175.3(2) .
C20 P1 C26 C31 1.9(3) .
C20 C21 C22 C23 0.3(4) .
C21 C20 C25 C24 0.6(4) .
C21 C22 C23 C24 0.3(5) .
C22 C23 C24 C25 -0.4(5) .
C23 C24 C25 C20 0.0(5) .
C25 C20 C21 C22 -0.8(4) .
C26 P1 C14 C15 156.5(2) .
C26 P1 C14 C19 -23.7(2) .
C26 P1 C20 C21 -114.1(2) .
C26 P1 C20 C25 68.3(2) .
C26 C27 C28 C29 1.2(5) .
C27 C26 C31 C30 0.9(4) .
C27 C28 C29 C30 0.1(5) .
C28 C29 C30 C31 -0.9(5) .
C29 C30 C31 C26 0.4(5) .
C31 C26 C27 C28 -1.7(4) .
