Selective carbon‒carbon bond cleavage of 2,2′-dibromotolane via photolysis of its appropriate (diphosphine)Pt0 complex in the solid state
Petzold, Holm; Weisheit, Thomas; Görls, Helmar; Breitzke, Hergen; Buntkowsky, Gerd; Escudero, Daniel; González, Leticia; Weigand, Wolfgang; Dalton Transactions  (2008) 1979–1981; doi:10.1039/b801230j

data_7003918
_publ_section_title
;
 Selective carbon--carbon bond cleavage of 2,2&#x2032;-dibromotolane
 via photolysis of its appropriate (diphosphine)Pt0 complex in the
 solid state
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              1979
_journal_page_last               1981
_journal_paper_doi               10.1039/b801230j
_journal_year                    2008
_chemical_formula_sum            'C44 H32 Br2 P2 Pt'
_chemical_formula_weight         977.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.862(2)
_cell_angle_beta                 88.179(2)
_cell_angle_gamma                68.483(2)
_cell_formula_units_Z            2
_cell_length_a                   8.8929(3)
_cell_length_b                   10.7362(4)
_cell_length_c                   21.0258(7)
_cell_measurement_temperature    183(2)
_cell_volume                     1843.09(11)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT?
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -267
_diffrn_reflns_number            13314
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    6.093
_exptl_absorpt_correction_T_max  0.4449
_exptl_absorpt_correction_T_min  0.3949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. R.H. Blessing, Acta Cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         5.363
_refine_diff_density_min         -2.102
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8374
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1408
_refine_ls_wR_factor_ref         0.1501
_reflns_number_gt                6723
_reflns_number_total             8374
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b801230j.txt
_cod_data_source_block           FO2930(Compound4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003918