<i>trans</i>-Di-μ-bromo-bis[bromo(triethylphosphine-κ<i>P</i>)platinum(II)]
Cornet, Stéphanie M. M.; Dillon, Keith. B.; Goeta, Andrés E.; Thompson, Amber L.; Acta Crystallographica Section C 61 (2005) m74–m75; doi:10.1107/S0108270104032731

data_2014702
_publ_section_title
<i>trans</i>-Di-\m-bromo-bis[bromo(triethylphosphine-\k<i>P</i>)platinum(II)]
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m74
_journal_page_last               m75
_journal_paper_doi               10.1107/S0108270104032731
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Pt2 Br4 (C6 H15 P1)2]'
_chemical_formula_moiety         'C12 H30 Br4 P2 Pt2'
_chemical_formula_sum            'C12 H30 Br4 P2 Pt2'
_chemical_formula_weight         946.12
_chemical_name_common            '[Pt(PEt~3~)Br~2~]~2~'
_chemical_name_systematic
;
trans-Di-\m-bromo-bis[bromo(triethylphosphine-\kP)platinum(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 120.930(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.522(6)
_cell_length_b                   6.8720(13)
_cell_length_c                   13.811(4)
_cell_measurement_reflns_used    7378
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.568
_cell_measurement_theta_min      1.921
_cell_volume                     2159.2(9)
_computing_cell_refinement       SMART-NT
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SMART-NT and/or SAINT? (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXS97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD 1K area-detector'
_diffrn_measurement_method       '\w scans'
_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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10540
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    20.483
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (G.M.Sheldrick, 1998)'
_exptl_crystal_colour            clear_intense_orange
_exptl_crystal_density_diffrn    2.910
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.849
_refine_diff_density_min         -1.749
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_reflns         2355
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0198
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0168P)^2^+10.3265P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0448
_refine_ls_wR_factor_ref         0.0457
_reflns_number_gt                2158
_reflns_number_total             2355
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hj1034.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

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        2159.3(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2014702
_cod_database_fobs_code          2014702