Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative
Xu, Long; Solowey, Douglas P.; Vicic, David A.; Organometallics 34 (2015) 3474–; doi:10.1021/acs.organomet.5b00045

data_1518838
_publ_section_title
;
 Stepwise Conversion of a Platinum Dimethyl Complex to a
 Perfluorometallacyclobutane Derivative
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3474
_journal_paper_doi               10.1021/acs.organomet.5b00045
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C11 H12 F4 O2 Pt'
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_method           SHELXL-2014/6
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_cell_angle_gamma                100.070(5)
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_cell_length_a                   6.3410(14)
_cell_length_b                   8.327(2)
_cell_length_c                   11.491(3)
_cell_measurement_temperature    142(2)
_cell_volume                     581.0(2)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      142(2)
_diffrn_measured_fraction_theta_full 0.841
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0454
_diffrn_reflns_Laue_measured_fraction_full 0.841
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
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_diffrn_reflns_point_group_measured_fraction_full 0.841
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         23.783
_diffrn_reflns_theta_min         3.280
_exptl_absorpt_coefficient_mu    12.119
_exptl_absorpt_correction_T_max  0.744970
_exptl_absorpt_correction_T_min  0.411412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.557
_exptl_crystal_description       needle
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         3.148
_refine_diff_density_min         -1.354
_refine_diff_density_rms         0.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         1772
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0822P)^2^+7.0581P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1280
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1685
_reflns_number_total             1772
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00045_si_001.cif
_cod_data_source_block           Compound13
_cod_depositor_comments
'Adding full bibliography for 1518835--1518839.cif.'
_cod_database_code               1518838
_shelx_estimated_absorpt_t_min   0.138
_shelx_estimated_absorpt_t_max   0.888
_shelxl_version_number           2014/6
_shelx_res_checksum              97364
_shelx_hkl_checksum              34105