#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:13:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179236 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/56/4315602.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_4315602
loop_
_publ_author_name
'Dileep A. K. Vezzu'
'Joseph C. Deaton'
'James S. Jones'
'Libero Bartolotti'
'Caleb F. Harris'
'Alfred P. Marchetti'
'Marina Kondakova'
'Robert D. Pike'
'Shouquan Huo'
_publ_contact_author_address
;
Department of Chemistry
East Carolina University
Greenville, NC 27858
;
_publ_contact_author_email       huos@ecu.edu
_publ_contact_author_fax         252-3286210
_publ_contact_author_name        'Shouquan Huo'
_publ_contact_author_phone       252-328-9784
_publ_section_title
;
 Highly Luminescent Tetradentate Bis-Cyclometalated Platinum Complexes:
 Design, Synthesis, Structure, Photophysics, and Electroluminescence
 Application
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5107
_journal_page_last               5119
_journal_paper_doi               10.1021/ic1002226
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C28 H19 N3 Pt'
_chemical_formula_sum            'C28 H19 N3 Pt'
_chemical_formula_weight         592.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.9899(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.09670(10)
_cell_length_b                   15.1234(2)
_cell_length_c                   11.24900(10)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      68.13
_cell_measurement_theta_min      2.92
_cell_volume                     2106.79(4)
_computing_cell_refinement       'SAINTPLUS (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2004)'
_computing_data_reduction        SAINTPLUS
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'XSHELL (Bruker, 2004)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'ω and ψ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22540
_diffrn_reflns_theta_full        66.98
_diffrn_reflns_theta_max         66.98
_diffrn_reflns_theta_min         3.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.616
_exptl_absorpt_correction_T_max  0.2136
_exptl_absorpt_correction_T_min  0.0811
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.397
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.00109(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0172
_refine_ls_R_factor_gt           0.0157
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0275P)²+0.8485P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0423
_refine_ls_wR_factor_ref         0.0436
_reflns_number_gt                3383
_reflns_number_total             3584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1002226_si_001_2.cif
_cod_data_source_block           (CNNC)Pt1
_cod_database_code               4315602
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.612320(8) 0.080549(7) 0.212282(9) 0.04239(7) Uani 1 1 d . . .
N1 N 0.51441(16) 0.13915(13) 0.05097(19) 0.0437(4) Uani 1 1 d . . .
N2 N 0.48637(16) 0.01144(14) 0.2377(2) 0.0466(5) Uani 1 1 d . . .
N3 N 0.34918(18) 0.07711(14) 0.0616(2) 0.0508(5) Uani 1 1 d . . .
C1 C 0.4088(2) 0.12423(17) -0.0020(2) 0.0469(6) Uani 1 1 d . . .
C2 C 0.3537(2) 0.1574(2) -0.1225(3) 0.0589(7) Uani 1 1 d . . .
H2 H 0.2802 0.1469 -0.1597 0.071 Uiso 1 1 calc R . .
C3 C 0.4091(3) 0.2054(2) -0.1849(3) 0.0649(8) Uani 1 1 d . . .
H3 H 0.3733 0.2271 -0.2650 0.078 Uiso 1 1 calc R . .
C4 C 0.5180(3) 0.2216(2) -0.1289(3) 0.0586(7) Uani 1 1 d . . .
H4 H 0.5557 0.2550 -0.1702 0.070 Uiso 1 1 calc R . .
C5 C 0.5698(2) 0.18783(17) -0.0118(2) 0.0481(6) Uani 1 1 d . . .
C6 C 0.6844(2) 0.20082(17) 0.0599(3) 0.0486(6) Uani 1 1 d . . .
C7 C 0.7493(2) 0.2568(2) 0.0154(3) 0.0609(7) Uani 1 1 d . . .
H7 H 0.7213 0.2840 -0.0626 0.073 Uiso 1 1 calc R . .
C8 C 0.8550(2) 0.2712(2) 0.0884(3) 0.0661(8) Uani 1 1 d . . .
H8 H 0.8989 0.3079 0.0596 0.079 Uiso 1 1 calc R . .
C9 C 0.8953(2) 0.2312(2) 0.2039(3) 0.0674(8) Uani 1 1 d . . .
H9 H 0.9666 0.2412 0.2530 0.081 Uiso 1 1 calc R . .
C10 C 0.8314(2) 0.1766(2) 0.2477(3) 0.0578(7) Uani 1 1 d . . .
H10 H 0.8607 0.1513 0.3270 0.069 Uiso 1 1 calc R . .
C11 C 0.7233(2) 0.15755(17) 0.1770(3) 0.0480(6) Uani 1 1 d . . .
C12 C 0.6980(2) 0.00684(18) 0.3593(2) 0.0507(6) Uani 1 1 d . . .
C13 C 0.8089(3) -0.0059(2) 0.4145(3) 0.0684(8) Uani 1 1 d . . .
H13 H 0.8557 0.0262 0.3841 0.082 Uiso 1 1 calc R . .
C14 C 0.8520(3) -0.0643(3) 0.5128(4) 0.0843(11) Uani 1 1 d . . .
H14 H 0.9266 -0.0707 0.5467 0.101 Uiso 1 1 calc R . .
C15 C 0.7863(3) -0.1127(3) 0.5606(4) 0.0856(11) Uani 1 1 d . . .
H15 H 0.8156 -0.1500 0.6290 0.103 Uiso 1 1 calc R . .
C16 C 0.6754(3) -0.1055(3) 0.5060(3) 0.0750(9) Uani 1 1 d . . .
H16 H 0.6300 -0.1398 0.5358 0.090 Uiso 1 1 calc R . .
C17 C 0.6313(2) -0.0471(2) 0.4063(3) 0.0551(6) Uani 1 1 d . . .
C18 C 0.5148(2) -0.04270(19) 0.3410(3) 0.0537(6) Uani 1 1 d . . .
C19 C 0.4381(3) -0.0888(2) 0.3744(4) 0.0723(10) Uani 1 1 d . . .
H19 H 0.4578 -0.1247 0.4454 0.087 Uiso 1 1 calc R . .
C20 C 0.3323(3) -0.0811(3) 0.3016(5) 0.0881(13) Uani 1 1 d . . .
H20 H 0.2795 -0.1123 0.3228 0.106 Uiso 1 1 calc R . .
C21 C 0.3037(3) -0.0280(2) 0.1984(4) 0.0779(10) Uani 1 1 d . . .
H21 H 0.2317 -0.0237 0.1486 0.093 Uiso 1 1 calc R . .
C22 C 0.3826(2) 0.01982(18) 0.1673(3) 0.0530(6) Uani 1 1 d . . .
C23 C 0.1714(3) 0.0321(2) -0.0812(3) 0.0721(9) Uani 1 1 d . . .
H23 H 0.2039 -0.0124 -0.1132 0.087 Uiso 1 1 calc R . .
C24 C 0.0597(3) 0.0429(3) -0.1252(4) 0.0926(12) Uani 1 1 d . . .
H24 H 0.0171 0.0048 -0.1862 0.111 Uiso 1 1 calc R . .
C25 C 0.0126(3) 0.1091(3) -0.0791(5) 0.0998(15) Uani 1 1 d . . .
H25 H -0.0619 0.1165 -0.1093 0.120 Uiso 1 1 calc R . .
C26 C 0.0753(3) 0.1644(3) 0.0115(5) 0.1008(14) Uani 1 1 d . . .
H26 H 0.0430 0.2091 0.0436 0.121 Uiso 1 1 calc R . .
C27 C 0.1853(3) 0.1547(2) 0.0554(4) 0.0738(9) Uani 1 1 d . . .
H27 H 0.2275 0.1932 0.1160 0.089 Uiso 1 1 calc R . .
C28 C 0.2327(2) 0.08835(18) 0.0102(3) 0.0528(7) Uani 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 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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
_geom_angle_publ_flag
C11 Pt1 C12 103.86(11) . . ?
C11 Pt1 N2 173.77(9) . . ?
C12 Pt1 N2 82.02(10) . . ?
C11 Pt1 N1 81.85(10) . . ?
C12 Pt1 N1 171.75(10) . . ?
N2 Pt1 N1 92.52(8) . . ?
C1 N1 C5 120.2(2) . . ?
C1 N1 Pt1 125.46(17) . . ?
C5 N1 Pt1 113.71(17) . . ?
C22 N2 C18 120.1(2) . . ?
C22 N2 Pt1 125.27(18) . . ?
C18 N2 Pt1 114.46(17) . . ?
C1 N3 C22 131.4(2) . . ?
C1 N3 C28 114.9(2) . . ?
C22 N3 C28 113.7(2) . . ?
N1 C1 N3 121.5(2) . . ?
N1 C1 C2 120.1(2) . . ?
N3 C1 C2 118.3(2) . . ?
C3 C2 C1 119.5(3) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 120.0(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 119.2(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 N1 120.9(3) . . ?
C4 C5 C6 125.3(3) . . ?
N1 C5 C6 113.8(2) . . ?
C7 C6 C11 122.5(3) . . ?
C7 C6 C5 121.0(3) . . ?
C11 C6 C5 116.5(2) . . ?
C8 C7 C6 119.4(3) . . ?
C8 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 120.8(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 122.4(3) . . ?
C9 C10 H10 118.8 . . ?
C11 C10 H10 118.8 . . ?
C6 C11 C10 115.1(2) . . ?
C6 C11 Pt1 113.02(19) . . ?
C10 C11 Pt1 131.9(2) . . ?
C13 C12 C17 115.6(3) . . ?
C13 C12 Pt1 131.7(2) . . ?
C17 C12 Pt1 112.37(19) . . ?
C14 C13 C12 122.7(3) . . ?
C14 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
C15 C14 C13 120.7(4) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.2(3) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C17 C16 C15 120.4(4) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C12 121.4(3) . . ?
C16 C17 C18 121.5(3) . . ?
C12 C17 C18 117.0(2) . . ?
N2 C18 C19 121.0(3) . . ?
N2 C18 C17 113.8(2) . . ?
C19 C18 C17 125.2(3) . . ?
C20 C19 C18 118.9(3) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
N2 C22 C21 119.6(3) . . ?
N2 C22 N3 122.0(2) . . ?
C21 C22 N3 118.3(3) . . ?
C28 C23 C24 119.0(4) . . ?
C28 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C25 C24 C23 120.2(4) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 119.8(3) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C27 C26 C25 120.5(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C26 119.9(4) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C23 120.6(3) . . ?
C27 C28 N3 118.9(3) . . ?
C23 C28 N3 120.5(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C11 2.000(3) . ?
Pt1 C12 2.007(3) . ?
Pt1 N2 2.050(2) . ?
Pt1 N1 2.051(2) . ?
N1 C1 1.335(3) . ?
N1 C5 1.379(3) . ?
N2 C22 1.338(3) . ?
N2 C18 1.370(3) . ?
N3 C1 1.412(3) . ?
N3 C22 1.420(4) . ?
N3 C28 1.455(4) . ?
C1 C2 1.405(4) . ?
C2 C3 1.370(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.467(4) . ?
C6 C7 1.403(4) . ?
C6 C11 1.409(4) . ?
C7 C8 1.377(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.373(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.376(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.410(4) . ?
C10 H10 0.9300 . ?
C12 C13 1.395(4) . ?
C12 C17 1.417(4) . ?
C13 C14 1.384(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.367(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.385(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.396(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.464(4) . ?
C18 C19 1.372(5) . ?
C19 C20 1.366(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.360(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.396(4) . ?
C21 H21 0.9300 . ?
C23 C28 1.374(4) . ?
C23 C24 1.392(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.363(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.367(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.371(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.363(4) . ?
C27 H27 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 Pt1 N1 C1 -179.1(2) . . . . ?
C12 Pt1 N1 C1 46.5(7) . . . . ?
N2 Pt1 N1 C1 -1.8(2) . . . . ?
C11 Pt1 N1 C5 9.84(17) . . . . ?
C12 Pt1 N1 C5 -124.5(6) . . . . ?
N2 Pt1 N1 C5 -172.85(17) . . . . ?
C11 Pt1 N2 C22 20.1(9) . . . . ?
C12 Pt1 N2 C22 -179.0(2) . . . . ?
N1 Pt1 N2 C22 -5.2(2) . . . . ?
C11 Pt1 N2 C18 -155.8(8) . . . . ?
C12 Pt1 N2 C18 5.10(19) . . . . ?
N1 Pt1 N2 C18 178.89(19) . . . . ?
C5 N1 C1 N3 -177.9(2) . . . . ?
Pt1 N1 C1 N3 11.6(3) . . . . ?
C5 N1 C1 C2 0.6(4) . . . . ?
Pt1 N1 C1 C2 -169.92(19) . . . . ?
C22 N3 C1 N1 -17.9(4) . . . . ?
C28 N3 C1 N1 162.6(2) . . . . ?
C22 N3 C1 C2 163.6(3) . . . . ?
C28 N3 C1 C2 -15.9(3) . . . . ?
N1 C1 C2 C3 -0.3(4) . . . . ?
N3 C1 C2 C3 178.3(3) . . . . ?
C1 C2 C3 C4 -0.6(5) . . . . ?
C2 C3 C4 C5 1.1(5) . . . . ?
C3 C4 C5 N1 -0.9(4) . . . . ?
C3 C4 C5 C6 -178.9(3) . . . . ?
C1 N1 C5 C4 0.0(4) . . . . ?
Pt1 N1 C5 C4 171.5(2) . . . . ?
C1 N1 C5 C6 178.2(2) . . . . ?
Pt1 N1 C5 C6 -10.2(3) . . . . ?
C4 C5 C6 C7 5.2(4) . . . . ?
N1 C5 C6 C7 -172.9(2) . . . . ?
C4 C5 C6 C11 -177.6(3) . . . . ?
N1 C5 C6 C11 4.3(3) . . . . ?
C11 C6 C7 C8 -0.5(4) . . . . ?
C5 C6 C7 C8 176.5(3) . . . . ?
C6 C7 C8 C9 -0.4(5) . . . . ?
C7 C8 C9 C10 0.1(5) . . . . ?
C8 C9 C10 C11 1.2(5) . . . . ?
C7 C6 C11 C10 1.7(4) . . . . ?
C5 C6 C11 C10 -175.5(2) . . . . ?
C7 C6 C11 Pt1 -178.9(2) . . . . ?
C5 C6 C11 Pt1 4.0(3) . . . . ?
C9 C10 C11 C6 -2.0(4) . . . . ?
C9 C10 C11 Pt1 178.7(2) . . . . ?
C12 Pt1 C11 C6 166.65(18) . . . . ?
N2 Pt1 C11 C6 -32.8(9) . . . . ?
N1 Pt1 C11 C6 -7.28(18) . . . . ?
C12 Pt1 C11 C10 -14.1(3) . . . . ?
N2 Pt1 C11 C10 146.5(8) . . . . ?
N1 Pt1 C11 C10 172.0(3) . . . . ?
C11 Pt1 C12 C13 -11.9(3) . . . . ?
N2 Pt1 C12 C13 170.2(3) . . . . ?
N1 Pt1 C12 C13 121.3(6) . . . . ?
C11 Pt1 C12 C17 174.5(2) . . . . ?
N2 Pt1 C12 C17 -3.4(2) . . . . ?
N1 Pt1 C12 C17 -52.3(7) . . . . ?
C17 C12 C13 C14 -2.8(5) . . . . ?
Pt1 C12 C13 C14 -176.3(3) . . . . ?
C12 C13 C14 C15 -0.1(6) . . . . ?
C13 C14 C15 C16 2.8(7) . . . . ?
C14 C15 C16 C17 -2.3(7) . . . . ?
C15 C16 C17 C12 -0.7(6) . . . . ?
C15 C16 C17 C18 175.6(4) . . . . ?
C13 C12 C17 C16 3.2(4) . . . . ?
Pt1 C12 C17 C16 178.0(3) . . . . ?
C13 C12 C17 C18 -173.3(3) . . . . ?
Pt1 C12 C17 C18 1.4(3) . . . . ?
C22 N2 C18 C19 -0.3(4) . . . . ?
Pt1 N2 C18 C19 175.9(3) . . . . ?
C22 N2 C18 C17 178.2(2) . . . . ?
Pt1 N2 C18 C17 -5.6(3) . . . . ?
C16 C17 C18 N2 -173.7(3) . . . . ?
C12 C17 C18 N2 2.8(4) . . . . ?
C16 C17 C18 C19 4.7(5) . . . . ?
C12 C17 C18 C19 -178.8(3) . . . . ?
N2 C18 C19 C20 1.1(5) . . . . ?
C17 C18 C19 C20 -177.3(3) . . . . ?
C18 C19 C20 C21 -0.5(6) . . . . ?
C19 C20 C21 C22 -0.8(7) . . . . ?
C18 N2 C22 C21 -1.1(4) . . . . ?
Pt1 N2 C22 C21 -176.8(2) . . . . ?
C18 N2 C22 N3 178.1(2) . . . . ?
Pt1 N2 C22 N3 2.4(4) . . . . ?
C20 C21 C22 N2 1.6(6) . . . . ?
C20 C21 C22 N3 -177.6(4) . . . . ?
C1 N3 C22 N2 10.1(4) . . . . ?
C28 N3 C22 N2 -170.3(2) . . . . ?
C1 N3 C22 C21 -170.6(3) . . . . ?
C28 N3 C22 C21 9.0(4) . . . . ?
C28 C23 C24 C25 0.9(6) . . . . ?
C23 C24 C25 C26 -0.7(7) . . . . ?
C24 C25 C26 C27 0.8(7) . . . . ?
C25 C26 C27 C28 -1.1(7) . . . . ?
C26 C27 C28 C23 1.3(6) . . . . ?
C26 C27 C28 N3 -177.6(3) . . . . ?
C24 C23 C28 C27 -1.2(5) . . . . ?
C24 C23 C28 N3 177.8(3) . . . . ?
C1 N3 C28 C27 -90.7(4) . . . . ?
C22 N3 C28 C27 89.7(3) . . . . ?
C1 N3 C28 C23 90.4(3) . . . . ?
C22 N3 C28 C23 -89.3(4) . . . . ?
