Rational Synthesis of Platinabenzenes†
Landorf, Christopher W.; Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.; Organometallics 23 (2004) 1174–; doi:10.1021/om034371a

data_4076283
_publ_section_title
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 Rational Synthesis of Platinabenzenes&#x2020;
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1174
_journal_paper_doi               10.1021/om034371a
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C25 H32 Pt'
_chemical_formula_weight         527.62
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2003-05-14
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                80.39(3)
_cell_angle_beta                 80.61(3)
_cell_angle_gamma                76.28(2)
_cell_formula_units_Z            4
_cell_length_a                   10.569(4)
_cell_length_b                   11.656(3)
_cell_length_c                   18.575(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    221
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.3
_cell_volume                     2173.5(14)
_computing_cell_refinement       'CAD4/PC (Enraf-Nonius, 1993)'
_computing_data_collection       'CAD4/PC (Enraf-Nonius, 1993)'
_computing_data_reduction        'TEXSAN (Molecular Structure Corp., 1997)'
_computing_publication_material  'TEXSAN (Molecular Structure Corp., 1997)'
_computing_structure_refinement  'TEXSAN (Molecular Structure Corp., 1997)'
_computing_structure_solution    'TEXSAN (Molecular Structure Corp., 1997)'
_diffrn_ambient_temperature      221
_diffrn_measurement_device_type  'Nonius CAD-4 serial diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.05670
_diffrn_orient_matrix_UB_12      0.06599
_diffrn_orient_matrix_UB_13      0.02627
_diffrn_orient_matrix_UB_21      -0.02791
_diffrn_orient_matrix_UB_22      -0.05984
_diffrn_orient_matrix_UB_23      0.04098
_diffrn_orient_matrix_UB_31      0.07518
_diffrn_orient_matrix_UB_32      0.00242
_diffrn_orient_matrix_UB_33      0.02575
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8999
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         26.0
_diffrn_reflns_theta_min         1.8
_diffrn_standards_decay_%        -4.49
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.44
_exptl_absorpt_correction_T_max  0.276
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North,Phillips & Matthews (1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_meas      ?
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.15
_refine_diff_density_min         -1.55
_refine_ls_abs_structure_details 'not applicable'
_refine_ls_extinction_coef       0.0000000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.56
_refine_ls_goodness_of_fit_ref   1.63
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8508
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.048
_refine_ls_R_factor_gt           0.031
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.0007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(I) + (0.025I)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.077
_refine_ls_wR_factor_ref         0.038
_reflns_number_gt                7704
_reflns_number_total             8513
_reflns_threshold_expression     I>1.00\s(I)
_cod_data_source_file            om034371asi20031215_065217.cif
_cod_data_source_block           CL0503
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_original_cell_volume        2173.4(14)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C25 H32 Pt '
_cod_database_code               4076283