(1,1-Cyclobutanedicarboxylato-<i>O</i>,<i>O</i>')bis(trimethylphosphine-<i>P</i>)platinum(II) monohydrate
Suzuki, Y.; Miyamoto, T. K.; Ichida, H.; Acta Crystallographica Section C 49 (1993) 1315–1317; doi:10.1107/S0108270192013489

data_2001517
_publ_contact_author
;
    Dr. Miyamoto, T. Ken
    Department of Chemistry
    Faculty of Science
    The University of Tokyo
    Tokyo  113
    Japan
;
_publ_section_title
;(1,1-Cyclobutanedicarboxylato-<i>O</i>,<i>O</i>')bis(trimethylphosphine-<i>P</i>)platinum(II)
 monohydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1315
_journal_page_last               1317
_journal_paper_doi               10.1107/S0108270192013489
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H24 O4 P2 Pt, H2 O'
_chemical_formula_structural     '[Pt(C6 H6 O4)(P(C H3)3)2] (H2 O)'
_chemical_formula_sum            'C12 H26 O5 P2 Pt'
_chemical_formula_weight         507.37
_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_type_scat_source
;
International Tables for X-ray Crystallography (1974, Vol. IV)
;
_cell_angle_alpha                92.43(2)
_cell_angle_beta                 115.300(10)
_cell_angle_gamma                110.130(10)
_cell_formula_units_Z            2
_cell_length_a                   9.752(2)
_cell_length_b                   11.680(2)
_cell_length_c                   9.203(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.9
_cell_volume                     867.4(3)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_source         '12kW rotating anode generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6611
_diffrn_reflns_theta_max         32.6
_diffrn_standards_decay_%        19.40
_diffrn_standards_interval_count 147
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.367
_exptl_absorpt_correction_T_max  1.42
_exptl_absorpt_correction_T_min  .79
_exptl_absorpt_correction_type
;
 empirical correction with DIFABS (Walker & Stuart, 1983)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.943
_exptl_crystal_density_meas      1.93
_exptl_crystal_density_method
;
Density was measured by a flotation in a 1, 2-dibromoethane/hexane mixture.
;
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .20
_refine_diff_density_max         2.84
_refine_diff_density_min         -2.27
_refine_ls_goodness_of_fit_obs   1.57
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         5068
_refine_ls_R_factor_obs          .041
_refine_ls_shift/esd_max         .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .044
_reflns_number_observed          5068
_reflns_number_total             6293
_reflns_observed_criterion       refl_observed_if_F_>_3.0_sigma(F)
_cod_data_source_file            as1035.cif
_cod_data_source_block           default
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' 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~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        867.3(3)
_cod_database_code               2001517