Structure of the monohydrido bridged dinuclear platinum(II) dihydrate [(PEt~3~)~2~PhPt(μ-H)PtH(PEt~3~)~2~][BPh~4~]
Bachechi, F.; Mura, P.; Zambonelli, L.; Acta Crystallographica Section C 49 (1993) 2072–2074; doi:10.1107/S0108270193005220

data_2001137
_publ_section_title
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 Structure of the monohydrido bridged dinuclear platinum(II) dihydrate
 [(PEt~3~)~2~PhPt(\m-H)PtH(PEt~3~)~2~][BPh~4~]
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2072
_journal_page_last               2074
_journal_paper_doi               10.1107/S0108270193005220
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C54 H87 B P4 Pt2'
_chemical_formula_weight         1261.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 92.80(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   14.297(5)
_cell_length_b                   13.078(3)
_cell_length_c                   30.301(6)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     5659(3)
_diffrn_measurement_device       'Syntex P21'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            8787
_diffrn_reflns_theta_max         58
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.523
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type
'empirical (azimuthal scan; North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      1.450(10)
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.28
_refine_ls_goodness_of_fit_obs   7.03
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5568
_refine_ls_R_factor_obs          0.059
_refine_ls_shift/esd_max         0.95
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.066
_reflns_number_observed          5568
_reflns_number_total             6450
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            na1031.cif
_cod_data_source_block           na1031_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^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^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001137