cis Influence in trans-Pt(PPh3)2 complexes
Rigamonti, Luca; Manassero, Carlo; Rusconi, Michele; Manassero, Mario; Pasini, Alessandro; Dalton Transactions  (2009) 1206–1213; doi:10.1039/b813125b

data_7000501
_publ_section_title
;
 cis Influence in trans-Pt(PPh3)2 complexes
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              1206
_journal_page_last               1213
_journal_paper_doi               10.1039/b813125b
_journal_year                    2009
_chemical_formula_sum            'C36 H30 Cl N O3 P2 Pt'
_chemical_formula_weight         817.14
_chemical_name_common            (trans-Pt(PPh3)2Cl(NO3))
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             08-02-23
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                90
_cell_angle_beta                 111.77(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.901(1)
_cell_length_b                   23.988(2)
_cell_length_c                   12.213(1)
_cell_measurement_reflns_used    147
_cell_measurement_temperature    223
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     3237.9(5)
_computing_cell_refinement       'SMART (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_structure_refinement
' Full-matrix least-squares (The Personal SDP, 1991)'
_computing_structure_solution
' SHELXS-86 (Sheldrick, 1986) as implemented in The Personal SDP'
_diffrn_ambient_temperature      223
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.34
_diffrn_measurement_device       'SMART (Bruker)'
_diffrn_measurement_method       omega
_diffrn_radiation_detector       'SMART CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_reduction_process SAINT
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         315
_exptl_absorpt_coefficient_mu    4.594
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.619
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ' SADABS'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_description       prism
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.280
_refine_diff_density_max         1.985
_refine_diff_density_min         -1.150
_refine_ls_goodness_of_fit_all   1.003
_refine_ls_goodness_of_fit_obs   1.003
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8584
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.028
_refine_ls_R_factor_obs          0.028
_refine_ls_shift/esd_max         0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_cod_data_source_file            b813125b.txt
_cod_data_source_block           compound_t-4
_cod_original_cell_volume        3237.9(4)
_cod_original_sg_symbol_H-M      'P 2(1)/n'
_cod_database_code               7000501
_diffrn_reflns_number_total      61238
_diffrn_reflns_number_independent 8584
_r_int                           0.0292
_total_number_of_frames          3660
_time_per_frame_seconds          10
_frame_width_degrees             0.30
_detector_sample_distance_cm     6.00
_conventional_r1_(i>2\s(i))      0.020
_reflections_with_i>2\s(i)       7338
_refine_diff_density_esd         0.127