Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond
Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.; Organometallics 21 (2002) 5394–; doi:10.1021/om0206507

data_4077126
_publ_section_title
;
 Rearrangement of a \s-2-(Cycloprop-2-enyl)vinyl- to an
 \h3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the
 Platinum&#x2212;Methyl Bond
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5394
_journal_paper_doi               10.1021/om0206507
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C29 H43 Cl P2 Pt '
_chemical_formula_structural     'Pt Cl (P(C2 H5)3)2 (C17 H13)'
_chemical_formula_sum            'C29 H43 Cl P2 Pt'
_chemical_formula_weight         684.15
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4228(16)
_cell_length_b                   14.4761(19)
_cell_length_c                   20.385(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.1
_cell_volume                     3075.7(8)
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'Nonius CAD-4 serial diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.05744
_diffrn_orient_matrix_UB_12      0.04781
_diffrn_orient_matrix_UB_13      -0.01978
_diffrn_orient_matrix_UB_21      -0.01752
_diffrn_orient_matrix_UB_22      -0.02572
_diffrn_orient_matrix_UB_23      -0.04463
_diffrn_orient_matrix_UB_31      -0.07482
_diffrn_orient_matrix_UB_32      0.04271
_diffrn_orient_matrix_UB_33      -0.00471
_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  0.00
_diffrn_reflns_av_sigmaI/netI    0.030
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3413
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         26.0
_diffrn_reflns_theta_min         1.7
_diffrn_standards_decay_%        15.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.75
_exptl_absorpt_correction_T_max  0.351
_exptl_absorpt_correction_T_min  0.143
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_process_details   'North,Phillips & Matthews (1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1368.00
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.33
_refine_diff_density_max         1.11
_refine_diff_density_min         -0.97
_refine_ls_extinction_coef       '3.4(2) \\times 10^-7^'
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   1.39
_refine_ls_goodness_of_fit_ref   1.24
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3386
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.042
_refine_ls_R_factor_gt           0.025
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(I) + (0.024I)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.063
_refine_ls_wR_factor_ref         0.028
_reflns_number_gt                2995
_reflns_number_total             3413
_reflns_threshold_expression     I>1.00\s(I)
_cod_data_source_file            om0206507.cif
_cod_data_source_block           VJ0602
_cod_depositor_comments
;
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 
;
_cod_original_cell_volume        3075.7(7)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C29 H43 Cl P2 Pt '
_cod_database_code               4077126