Platinabenzenes: Synthesis, Properties, and Reactivity Studies of a Rare Class of Metalla-aromatics†
Jacob, Volker; Landorf, Christopher W.; Zakharov, Lev N.; Weakley, Timothy J. R.; Haley, Michael M.; Organometallics 28 (2009) 5183–; doi:10.1021/om900439z

data_4069836
_publ_section_title
;
 Platinabenzenes: Synthesis, Properties, and Reactivity Studies of a Rare
 Class of Metalla-aromatics&#x2020;
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              5183
_journal_paper_doi               10.1021/om900439z
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C27 H28 Pt '
_chemical_formula_sum            'C27 H28 Pt'
_chemical_formula_weight         547.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2002-08-26
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                90
_cell_angle_beta                 101.32(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.575(3)
_cell_length_b                   16.976(3)
_cell_length_c                   12.445(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.1
_cell_volume                     2190.7(8)
_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      296
_diffrn_measurement_device_type  'Nonius CAD-4 serial diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00562
_diffrn_orient_matrix_UB_12      0.04202
_diffrn_orient_matrix_UB_13      -0.05516
_diffrn_orient_matrix_UB_21      -0.05539
_diffrn_orient_matrix_UB_22      -0.03227
_diffrn_orient_matrix_UB_23      -0.05807
_diffrn_orient_matrix_UB_31      -0.07870
_diffrn_orient_matrix_UB_32      0.02572
_diffrn_orient_matrix_UB_33      0.01724
_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  0.015
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5749
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         28.0
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        -3.2
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.388
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North,Phillips & Matthews (1968)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1072.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.28
_refine_diff_density_min         -0.80
_refine_ls_abs_structure_details 'not applicable'
_refine_ls_extinction_coef       0.00000018(2)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.482
_refine_ls_goodness_of_fit_ref   1.56
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     254
_refine_ls_number_reflns         5281
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.044
_refine_ls_R_factor_gt           0.028
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(I) + (0.028I)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.079
_refine_ls_wR_factor_ref         0.039
_reflns_number_gt                5281
_reflns_number_total             5479
_reflns_threshold_expression     I>1.00\s(I)
_cod_data_source_file            om900439z_si_001.cif
_cod_data_source_block           VJ0802
_cod_original_cell_volume        2190.8(7)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C27 H28 Pt '
_cod_database_code               4069836