Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclopentanamine-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(trifluoromethanesulfonate)
Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas; Acta Crystallographica Section E 68 (2012) m916–m917; doi:10.1107/S1600536812026359

data_2235710
_publ_section_title
;
 Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclopentanamine-\k^2^<i>P</i>,<i>P</i>']platinum(II)
 bis(trifluoromethanesulfonate)
;
_journal_coeditor_code           ZB2023
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m916
_journal_page_last               m917
_journal_paper_doi               10.1107/S1600536812026359
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pt (C29 H29 N P2)2] (C F3 S O3)2'
_chemical_formula_moiety         'C58 H58 N2 P4 Pt 2+, 2(C F3 O3 S -) '
_chemical_formula_sum            'C60 H58 F6 N2 O6 P4 Pt S2'
_chemical_formula_weight         1400.18
_chemical_name_systematic
;
Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclopentanamine-
\k^2^<i>P</i>,<i>P</i>']platinum(II) bis(trifluoromethanesulfonate)
;
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_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000
_cell_angle_beta                 93.916(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   10.041(5)
_cell_length_b                   13.662(4)
_cell_length_c                   20.928(5)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.07
_cell_measurement_theta_min      2.75
_cell_volume                     2864.2(18)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2011)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1012
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_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            44370
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.707
_exptl_absorpt_correction_T_max  0.6712
_exptl_absorpt_correction_T_min  0.6272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cuboid
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.392
_refine_diff_density_min         -1.417
_refine_ls_extinction_method     none
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_refine_ls_number_parameters     398
_refine_ls_number_reflns         6894
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_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0387P)^2^+0.8274P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                4869
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            zb2023.cif
_cod_data_source_block           I
_cod_original_cell_volume        2864.2(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2235710
_cod_database_fobs_code          2235710