<i>cis</i>-Dichloro(triethylphosphine-<i>P</i>)[tris(2,6-difluorophenyl)phosphite-<i>P</i>]platinum(II)
Fawcett, J.; Holloway, J. H.; Hope, E. G.; Saunders, G. C.; Atherton, M. J.; Acta Crystallographica Section C 52 (1996) 2463–2464; doi:10.1107/S0108270196007160

data_2005485
_publ_section_title
<i>cis</i>-Dichloro(triethylphosphine-<i>P</i>)[tris(2,6-difluorophenyl)phosphite-<i>P</i>]platinum(II)
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2463
_journal_page_last               2464
_journal_paper_doi               10.1107/S0108270196007160
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Pt Cl2 (C18 H9 F6 O3 P) (C6 H15 P)]'
_chemical_formula_structural     'Pt (Cl)2 (P (O C6 H3 F2)3) (P (C2 H5)3) '
_chemical_formula_sum            'C24 H24 Cl2 F6 O3 P2 Pt'
_chemical_formula_weight         802.36
_chemical_name_systematic
;
cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P]
platinum(II)
;
_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'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.
_cell_angle_beta                 96.20(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.709(2)
_cell_length_b                   15.482(2)
_cell_length_c                   18.267(3)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.9
_cell_measurement_theta_min      5.2
_cell_volume                     2729.7(8)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Fait, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5259
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         2.60
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.520
_exptl_absorpt_correction_T_max  0.307
_exptl_absorpt_correction_T_min  0.169
_exptl_absorpt_correction_type   'semi-empirical from \y scans'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.602
_refine_diff_density_min         -0.584
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.043
_refine_ls_goodness_of_fit_obs   1.067
_refine_ls_hydrogen_treatment    'H atoms riding with refined U~iso~'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4035
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_restrained_S_obs      1.067
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_obs          0.0293
_refine_ls_shift/esd_max         0.262
_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0238P)^2^ + 0.0164P]
where P = (F~o~^2^ + 2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.0669
_refine_ls_wR_factor_obs         0.0616
_reflns_number_observed          3349
_reflns_number_total             4036
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            cf1103.cif
_cod_data_source_block           9569
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2005485