Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)
Klosin, J.; Jones, W. M.; Abboud, K. A.; Acta Crystallographica Section C 52 (1996) 1101–1104; doi:10.1107/S010827019501016X

data_2004926
_publ_section_title
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 Two Forms of
 Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)
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_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1101
_journal_page_last               1104
_journal_paper_doi               10.1107/S010827019501016X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Pt Br (C7 H6) (C18 H15 P)2] B F4 , C4 H8 O'
_chemical_formula_moiety         'C43 H36 Br P2 Pt , B F4 , C4 H8 O'
_chemical_formula_sum            'C47 H44 B Br F4 O P2 Pt'
_chemical_formula_weight         1048.57
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.943(3)
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_cell_length_c                   27.756(7)
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_cell_measurement_temperature    293
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_diffrn_measurement_device       'Seimens P3m/V'
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_diffrn_standards_decay_%        4
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_exptl_absorpt_coefficient_mu    3.86
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_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_description       block
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_refine_diff_density_min         -1
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.05
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     261
_refine_ls_number_reflns         3111
_refine_ls_R_factor_obs          0.0646
_refine_ls_shift/esd_max         2.794
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0004F]^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0736
_reflns_number_observed          3111
_reflns_number_total             4731
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            sz1018.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0004F]^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0004F]^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        4817(2)
_cod_database_code               2004926