Cooperation between Cis and Trans Influences in cis-PtII(PPh3)2 Complexes: Structural, Spectroscopic, and Computational Studies
Luca Rigamonti; Alessandra Forni; Mario Manassero; Carlo Manassero; Alessandro Pasini; Inorganic Chemistry 49 (2010) 123–135; doi:10.1021/ic901510m

data_4314408
_publ_section_title
;
 Cooperation between Cis and Trans Influences in cis-PtII(PPh3)2
 Complexes: Structural, Spectroscopic, and Computational Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              123
_journal_page_last               135
_journal_paper_doi               10.1021/ic901510m
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C37 H31 Cl3 N2 O6 P2 Pt'
_chemical_formula_weight         963.07
_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             09-02-27
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                90
_cell_angle_beta                 95.330(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0353(6)
_cell_length_b                   19.9799(10)
_cell_length_c                   15.8339(8)
_cell_measurement_reflns_used    5956
_cell_measurement_temperature    296
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_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      296
_diffrn_measurement_device       'APEX II (Bruker)'
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_diffrn_radiation_detector       'APEX II CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
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_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       29
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_reduction_process SAINT
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_diffrn_reflns_theta_min         3.00
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_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '  SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_description       stick
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.437
_refine_diff_density_min         -1.277
_refine_ls_goodness_of_fit_all   0.976
_refine_ls_goodness_of_fit_obs   0.976
_refine_ls_hydrogen_treatment    noref
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ic901510m_si_005.cif
_cod_data_source_block           compound_5.CHCl3
_cod_database_code               4314408
_diffrn_reflns_number_total      99490
_diffrn_reflns_number_independent 13130
_r_int                           0.0719
_total_number_of_frames          2220
_time_per_frame_seconds          30
_frame_width_degrees             0.50
_detector_sample_distance_cm     5.00
_conventional_r1_(i>2\s(i))      0.034
_reflections_with_i>2\s(i)       8373
_refine_diff_density_esd         0.436