#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/29/2202992.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_2202992
loop_
_publ_author_name
'Khan, Muhammad S.'
'Al-Saadi, Rahma K. M.'
'Male, Louise'
'Raithby, Paul R.'
'Bjernemose, Jens'
_publ_section_title
trans-Bis(carbazol-3-ylethynyl)bis(tri-n-butylphosphine)platinum(II)
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m774
_journal_page_last               m776
_journal_paper_doi               10.1107/S1600536803017872
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Pt (C12 H27 P)2 (C14 H8 N)2]'
_chemical_formula_moiety         'C52 H70 N2 P2 Pt'
_chemical_formula_sum            'C52 H70 N2 P2 Pt'
_chemical_formula_weight         980.13
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.2380(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.28600(10)
_cell_length_b                   19.4330(3)
_cell_length_c                   13.6980(2)
_cell_measurement_reflns_used    25483
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2395.94(6)
_computing_cell_refinement       'HKL SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997)'
_computing_data_reduction
'HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997), X-SEED (Barbour, 1999) and
POV-Ray for Windows (Cason, 1999)
;
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35095
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.03
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_correction_T_min  0.538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.695
_refine_diff_density_min         -1.323
_refine_ls_extinction_coef       0.0016(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         4221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc  w= 1/[σ²(Fo²)+(0.0312P)²+0.9277P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0615
_reflns_number_gt                3270
_reflns_number_total             4221
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ww6109.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2202992
_cod_database_fobs_code          2202992
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'
loop_
_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
_atom_site_type_symbol
C1 -0.9298(4) 0.1955(2) -0.5822(3) 0.0479(10) Uani d . 1 . . C
H1 -1.0071 0.2058 -0.64 0.057 Uiso calc R 1 . . H
C2 -0.9142(4) 0.23525(19) -0.4978(3) 0.0439(10) Uani d . 1 . . C
H2 -0.9795 0.2726 -0.4961 0.053 Uiso calc R 1 . . H
C3 -0.7997(4) 0.21912(16) -0.4149(2) 0.0319(8) Uani d . 1 . . C
C4 -0.7016(3) 0.16412(15) -0.4165(2) 0.0277(7) Uani d . 1 . . C
C5 -0.7203(4) 0.12433(18) -0.5033(2) 0.0371(8) Uani d . 1 . . C
H5 -0.6552 0.087 -0.5059 0.044 Uiso calc R 1 . . H
C6 -0.8352(4) 0.1400(2) -0.5858(3) 0.0449(9) Uani d . 1 . . C
H6 -0.8498 0.113 -0.6452 0.054 Uiso calc R 1 . . H
C7 -0.6357(3) 0.21772(15) -0.2628(2) 0.0264(7) Uani d . 1 . . C
C8 -0.5550(4) 0.23210(15) -0.1652(2) 0.0298(8) Uani d . 1 . . C
H8 -0.5814 0.2693 -0.1281 0.036 Uiso calc R 1 . . H
C9 -0.4354(4) 0.19049(15) -0.1244(2) 0.0291(7) Uani d . 1 . . C
H9 -0.3792 0.1997 -0.0578 0.035 Uiso calc R 1 . . H
C10 -0.3925(3) 0.13462(15) -0.1770(2) 0.0260(7) Uani d . 1 . . C
C11 -0.4738(3) 0.12194(15) -0.2752(2) 0.0240(7) Uani d . 1 . . C
H11 -0.4462 0.0852 -0.3125 0.029 Uiso calc R 1 . . H
C12 -0.5956(3) 0.16302(15) -0.3189(2) 0.0247(7) Uani d . 1 . . C
C13 -0.2679(4) 0.09229(16) -0.1272(2) 0.0268(7) Uani d . 1 . . C
C14 -0.1660(4) 0.05812(16) -0.0815(2) 0.0281(7) Uani d . 1 . . C
C15 0.3196(3) 0.07956(16) -0.0225(2) 0.0304(7) Uani d . 1 . . C
H15A 0.3695 0.0518 0.0368 0.036 Uiso calc R 1 . . H
H15B 0.3913 0.0861 -0.0645 0.036 Uiso calc R 1 . . H
C16 0.2821(4) 0.15066(16) 0.0146(2) 0.0349(8) Uani d . 1 . . C
H16A 0.3763 0.1759 0.0412 0.042 Uiso calc R 1 . . H
H16B 0.2242 0.1768 -0.0441 0.042 Uiso calc R 1 . . H
C17 0.1956(4) 0.15002(19) 0.0951(3) 0.0428(9) Uani d . 1 . . C
H17A 0.0915 0.1367 0.0639 0.051 Uiso calc R 1 . . H
H17B 0.2386 0.1147 0.146 0.051 Uiso calc R 1 . . H
C18 0.1964(6) 0.2188(2) 0.1472(3) 0.0672(14) Uani d . 1 . . C
H18A 0.139 0.2152 0.1982 0.101 Uiso calc R 1 . . H
H18B 0.1518 0.2538 0.0975 0.101 Uiso calc R 1 . . H
H18C 0.299 0.2318 0.1797 0.101 Uiso calc R 1 . . H
C19 0.2441(4) -0.04446(15) -0.1407(2) 0.0278(7) Uani d . 1 . . C
H19A 0.3005 -0.0706 -0.0815 0.033 Uiso calc R 1 . . H
H19B 0.1625 -0.0745 -0.1774 0.033 Uiso calc R 1 . . H
C20 0.3479(4) -0.03028(19) -0.2099(2) 0.0319(7) Uani d . 1 . . C
H20A 0.2944 -0.0021 -0.2677 0.038 Uiso calc R 1 . . H
H20B 0.4342 -0.0033 -0.1723 0.038 Uiso calc R 1 . . H
C21 0.4034(4) -0.09568(17) -0.2492(3) 0.0371(8) Uani d . 1 . . C
H21A 0.3175 -0.122 -0.2888 0.044 Uiso calc R 1 . . H
H21B 0.4542 -0.1246 -0.1914 0.044 Uiso calc R 1 . . H
C22 0.5103(4) -0.0809(2) -0.3149(3) 0.0497(10) Uani d . 1 . . C
H22A 0.5432 -0.1243 -0.3385 0.075 Uiso calc R 1 . . H
H22B 0.5966 -0.0556 -0.2755 0.075 Uiso calc R 1 . . H
H22C 0.4599 -0.053 -0.3729 0.075 Uiso calc R 1 . . H
C23 0.0899(4) 0.08302(16) -0.2067(2) 0.0283(7) Uani d . 1 . . C
H23A 0.0405 0.124 -0.1869 0.034 Uiso calc R 1 . . H
H23B 0.1748 0.0994 -0.2321 0.034 Uiso calc R 1 . . H
C24 -0.0199(4) 0.04668(17) -0.2924(2) 0.0333(8) Uani d . 1 . . C
H24A 0.0286 0.0059 -0.3137 0.04 Uiso calc R 1 . . H
H24B -0.1061 0.0305 -0.2682 0.04 Uiso calc R 1 . . H
C25 -0.0734(5) 0.0940(2) -0.3816(3) 0.0507(10) Uani d . 1 . . C
H25A -0.1147 0.1362 -0.3584 0.061 Uiso calc R 1 . . H
H25B 0.013 0.1079 -0.4075 0.061 Uiso calc R 1 . . H
C26 -0.1896(5) 0.0629(2) -0.4668(3) 0.0650(12) Uani d . 1 . . C
H26A -0.2185 0.0966 -0.5215 0.098 Uiso calc R 1 . . H
H26B -0.2769 0.0502 -0.4426 0.098 Uiso calc R 1 . . H
H26C -0.1491 0.0218 -0.4918 0.098 Uiso calc R 1 . . H
N1 -0.7591(3) 0.25035(14) -0.3214(2) 0.0336(7) Uani d . 1 . . N
H1A -0.8049 0.2856 -0.3021 0.04 Uiso calc R 1 . . H
P1 0.16139(9) 0.03072(5) -0.09511(6) 0.02533(19) Uani d . 1 . . P
Pt1 0 0 0 0.02389(8) Uani d S 1 . . Pt
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 0 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 121.9(3) no
C2 C1 H1 . . 119.1 no
C6 C1 H1 . . 119.1 no
C1 C2 C3 . . 117.7(3) no
C1 C2 H2 . . 121.2 no
C3 C2 H2 . . 121.2 no
N1 C3 C2 . . 129.7(3) no
N1 C3 C4 . . 108.5(3) yes
C2 C3 C4 . . 121.8(3) no
C5 C4 C3 . . 119.3(3) no
C5 C4 C12 . . 133.8(3) no
C3 C4 C12 . . 106.9(3) yes
C6 C5 C4 . . 118.9(3) no
C6 C5 H5 . . 120.5 no
C4 C5 H5 . . 120.5 no
C5 C6 C1 . . 120.4(3) no
C5 C6 H6 . . 119.8 no
C1 C6 H6 . . 119.8 no
N1 C7 C8 . . 129.8(3) no
N1 C7 C12 . . 108.7(3) yes
C8 C7 C12 . . 121.5(3) no
C9 C8 C7 . . 117.6(3) no
C9 C8 H8 . . 121.2 no
C7 C8 H8 . . 121.2 no
C8 C9 C10 . . 123.0(3) no
C8 C9 H9 . . 118.5 no
C10 C9 H9 . . 118.5 no
C11 C10 C9 . . 118.3(3) no
C11 C10 C13 . . 122.4(3) no
C9 C10 C13 . . 119.3(3) no
C10 C11 C12 . . 120.2(3) no
C10 C11 H11 . . 119.9 no
C12 C11 H11 . . 119.9 no
C11 C12 C7 . . 119.4(3) no
C11 C12 C4 . . 134.3(3) no
C7 C12 C4 . . 106.3(3) yes
C14 C13 C10 . . 176.7(3) yes
C13 C14 Pt1 . . 177.5(3) yes
C16 C15 P1 . . 115.4(2) no
C16 C15 H15A . . 108.4 no
P1 C15 H15A . . 108.4 no
C16 C15 H15B . . 108.4 no
P1 C15 H15B . . 108.4 no
H15A C15 H15B . . 107.5 no
C17 C16 C15 . . 115.8(3) no
C17 C16 H16A . . 108.3 no
C15 C16 H16A . . 108.3 no
C17 C16 H16B . . 108.3 no
C15 C16 H16B . . 108.3 no
H16A C16 H16B . . 107.4 no
C18 C17 C16 . . 113.2(3) no
C18 C17 H17A . . 108.9 no
C16 C17 H17A . . 108.9 no
C18 C17 H17B . . 108.9 no
C16 C17 H17B . . 108.9 no
H17A C17 H17B . . 107.8 no
C17 C18 H18A . . 109.5 no
C17 C18 H18B . . 109.5 no
H18A C18 H18B . . 109.5 no
C17 C18 H18C . . 109.5 no
H18A C18 H18C . . 109.5 no
H18B C18 H18C . . 109.5 no
C20 C19 P1 . . 116.6(2) no
C20 C19 H19A . . 108.1 no
P1 C19 H19A . . 108.1 no
C20 C19 H19B . . 108.1 no
P1 C19 H19B . . 108.1 no
H19A C19 H19B . . 107.3 no
C21 C20 C19 . . 112.8(3) no
C21 C20 H20A . . 109 no
C19 C20 H20A . . 109 no
C21 C20 H20B . . 109 no
C19 C20 H20B . . 109 no
H20A C20 H20B . . 107.8 no
C20 C21 C22 . . 112.2(3) no
C20 C21 H21A . . 109.2 no
C22 C21 H21A . . 109.2 no
C20 C21 H21B . . 109.2 no
C22 C21 H21B . . 109.2 no
H21A C21 H21B . . 107.9 no
C21 C22 H22A . . 109.5 no
C21 C22 H22B . . 109.5 no
H22A C22 H22B . . 109.5 no
C21 C22 H22C . . 109.5 no
H22A C22 H22C . . 109.5 no
H22B C22 H22C . . 109.5 no
C24 C23 P1 . . 115.1(2) no
C24 C23 H23A . . 108.5 no
P1 C23 H23A . . 108.5 no
C24 C23 H23B . . 108.5 no
P1 C23 H23B . . 108.5 no
H23A C23 H23B . . 107.5 no
C25 C24 C23 . . 111.4(3) no
C25 C24 H24A . . 109.4 no
C23 C24 H24A . . 109.4 no
C25 C24 H24B . . 109.4 no
C23 C24 H24B . . 109.4 no
H24A C24 H24B . . 108 no
C26 C25 C24 . . 114.3(3) no
C26 C25 H25A . . 108.7 no
C24 C25 H25A . . 108.7 no
C26 C25 H25B . . 108.7 no
C24 C25 H25B . . 108.7 no
H25A C25 H25B . . 107.6 no
C25 C26 H26A . . 109.5 no
C25 C26 H26B . . 109.5 no
H26A C26 H26B . . 109.5 no
C25 C26 H26C . . 109.5 no
H26A C26 H26C . . 109.5 no
H26B C26 H26C . . 109.5 no
C7 N1 C3 . . 109.5(3) yes
C7 N1 H1A . . 125.2 no
C3 N1 H1A . . 125.2 no
C23 P1 C15 . . 104.23(14) no
C23 P1 C19 . . 104.85(15) no
C15 P1 C19 . . 104.61(15) no
C23 P1 Pt1 . . 117.91(11) yes
C15 P1 Pt1 . . 112.13(11) yes
C19 P1 Pt1 . . 111.94(10) yes
C14 Pt1 C14 3 . 180.0(3) no
C14 Pt1 P1 3 . 86.70(8) no
C14 Pt1 P1 . . 93.30(8) yes
C14 Pt1 P1 3 3 93.30(8) no
C14 Pt1 P1 . 3 86.70(8) no
P1 Pt1 P1 . 3 180.00(5) no
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
C1 C2 . 1.369(5) no
C1 C6 . 1.398(5) no
C1 H1 . 0.95 no
C2 C3 . 1.388(5) no
C2 H2 . 0.95 no
C3 N1 . 1.383(4) yes
C3 C4 . 1.408(4) yes
C4 C5 . 1.393(4) no
C4 C12 . 1.453(4) yes
C5 C6 . 1.384(5) no
C5 H5 . 0.95 no
C6 H6 . 0.95 no
C7 N1 . 1.381(4) yes
C7 C8 . 1.391(4) no
C7 C12 . 1.414(4) yes
C8 C9 . 1.376(4) no
C8 H8 . 0.95 no
C9 C10 . 1.414(4) no
C9 H9 . 0.95 no
C10 C11 . 1.393(4) no
C10 C13 . 1.447(4) yes
C11 C12 . 1.393(4) no
C11 H11 . 0.95 no
C13 C14 . 1.199(4) yes
C14 Pt1 . 2.013(3) yes
C15 C16 . 1.541(4) no
C15 P1 . 1.825(3) yes
C15 H15A . 0.99 no
C15 H15B . 0.99 no
C16 C17 . 1.516(5) no
C16 H16A . 0.99 no
C16 H16B . 0.99 no
C17 C18 . 1.514(5) no
C17 H17A . 0.99 no
C17 H17B . 0.99 no
C18 H18A . 0.98 no
C18 H18B . 0.98 no
C18 H18C . 0.98 no
C19 C20 . 1.534(4) no
C19 P1 . 1.830(3) yes
C19 H19A . 0.99 no
C19 H19B . 0.99 no
C20 C21 . 1.519(5) no
C20 H20A . 0.99 no
C20 H20B . 0.99 no
C21 C22 . 1.522(5) no
C21 H21A . 0.99 no
C21 H21B . 0.99 no
C22 H22A . 0.98 no
C22 H22B . 0.98 no
C22 H22C . 0.98 no
C23 C24 . 1.525(4) no
C23 P1 . 1.819(3) yes
C23 H23A . 0.99 no
C23 H23B . 0.99 no
C24 C25 . 1.513(4) no
C24 H24A . 0.99 no
C24 H24B . 0.99 no
C25 C26 . 1.508(5) no
C25 H25A . 0.99 no
C25 H25B . 0.99 no
C26 H26A . 0.98 no
C26 H26B . 0.98 no
C26 H26C . 0.98 no
N1 H1A . 0.88 no
P1 Pt1 . 2.2935(8) yes
Pt1 C14 3 2.013(3) no
Pt1 P1 3 2.2935(8) no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C25 H25A N1 4_665 0.99 2.69 3.674(5) 171
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_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . 0.4(6) no
C1 C2 C3 N1 . 179.9(3) no
C1 C2 C3 C4 . 0.3(5) no
N1 C3 C4 C5 . 179.8(3) no
C2 C3 C4 C5 . -0.5(5) no
N1 C3 C4 C12 . -0.6(3) yes
C2 C3 C4 C12 . 179.0(3) no
C3 C4 C5 C6 . 0.0(5) no
C12 C4 C5 C6 . -179.4(3) no
C4 C5 C6 C1 . 0.7(5) no
C2 C1 C6 C5 . -0.9(6) no
N1 C7 C8 C9 . 179.8(3) no
C12 C7 C8 C9 . -0.8(4) no
C7 C8 C9 C10 . -0.1(5) no
C8 C9 C10 C11 . 1.0(4) no
C8 C9 C10 C13 . -178.2(3) yes
C9 C10 C11 C12 . -1.0(4) no
C13 C10 C11 C12 . 178.2(3) no
C10 C11 C12 C7 . 0.1(4) no
C10 C11 C12 C4 . 180.0(3) no
N1 C7 C12 C11 . -179.7(3) no
C8 C7 C12 C11 . 0.8(4) no
N1 C7 C12 C4 . 0.5(3) yes
C8 C7 C12 C4 . -179.0(3) no
C5 C4 C12 C11 . -0.3(6) no
C3 C4 C12 C11 . -179.7(3) no
C5 C4 C12 C7 . 179.6(3) no
C3 C4 C12 C7 . 0.1(3) yes
C11 C10 C13 C14 . -153(6) no
C9 C10 C13 C14 . 26(6) no
C10 C13 C14 Pt1 . 31(11) no
P1 C15 C16 C17 . 68.8(3) no
C15 C16 C17 C18 . 165.1(3) no
P1 C19 C20 C21 . -176.4(2) no
C19 C20 C21 C22 . -178.1(3) no
P1 C23 C24 C25 . 179.9(3) no
C23 C24 C25 C26 . -176.4(3) no
C8 C7 N1 C3 . 178.6(3) no
C12 C7 N1 C3 . -0.9(3) yes
C2 C3 N1 C7 . -178.7(3) no
C4 C3 N1 C7 . 1.0(3) yes
C24 C23 P1 C15 . 166.1(2) no
C24 C23 P1 C19 . 56.4(3) no
C24 C23 P1 Pt1 . -68.9(2) no
C16 C15 P1 C23 . 63.2(3) no
C16 C15 P1 C19 . 173.0(2) no
C16 C15 P1 Pt1 . -65.5(2) no
C20 C19 P1 C23 . 47.9(3) no
C20 C19 P1 C15 . -61.4(3) no
C20 C19 P1 Pt1 . 176.9(2) no
C13 C14 Pt1 C14 3 9E1(7) no
C13 C14 Pt1 P1 . -170(7) yes
C13 C14 Pt1 P1 3 10(7) no
C23 P1 Pt1 C14 3 174.09(15) no
C15 P1 Pt1 C14 3 -64.87(14) no
C19 P1 Pt1 C14 3 52.35(15) no
C23 P1 Pt1 C14 . -5.91(15) yes
C15 P1 Pt1 C14 . 115.13(14) yes
C19 P1 Pt1 C14 . -127.65(15) yes
C23 P1 Pt1 P1 3 9E1(3) no
C15 P1 Pt1 P1 3 -15E1(3) no
C19 P1 Pt1 P1 3 -4E1(3) no
