Isolation of a new mixed valence Pt molecular oxide using phosphine as protecting group
Noro, K.; Ozawa, Y.; Taguchi, M.; Yagasaki, A.; Chemical Communications  (2002) 1770–; doi:10.1039/b204804c

data_7114169
_publ_section_title
;
 Isolation of a new mixed valence Pt molecular oxide using phosphine as
 protecting group
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1770
_journal_paper_doi               10.1039/b204804c
_journal_year                    2002
_chemical_formula_moiety
;              
((Pt (O H)6) (Pt (P (C H3)3)2)3) 1+, (N O3 1-)4, 6(H2 O)
;
_chemical_formula_sum            'C18 H72 N4 O24 P6 Pt4'
_chemical_formula_weight         1694.94
_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'
_audit_creation_date             01-07-13
_audit_creation_method           Xtal3.7.1
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.21(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.311(8)
_cell_length_b                   16.218(3)
_cell_length_c                   22.777(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    220
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.5
_cell_volume                     4904(4)
_computing_cell_refinement       CAD4_CELDIM
_computing_data_collection       CAD4_DATCOL
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal_ORTEP
_computing_publication_material  'xtal CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    SHELX-97S
_diffrn_ambient_temperature      220
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .054
_diffrn_reflns_av_sigmaI/netI    .311
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       1
_diffrn_reflns_number            12265
_diffrn_reflns_reduction_process 'perpendicular monochr Lp'
_diffrn_reflns_theta_max         30.7
_diffrn_reflns_theta_min         2.19
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.637
_exptl_absorpt_correction_T_max  0.2283
_exptl_absorpt_correction_T_min  0.0381
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            lemon_yellow
_exptl_crystal_density_diffrn    2.214
_exptl_crystal_description       prism
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          .325
_exptl_crystal_size_mid          .175
_exptl_crystal_size_min          .150
_refine_diff_density_max         3.454
_refine_diff_density_min         -3.239
_refine_ls_goodness_of_fit_all   1.088
_refine_ls_goodness_of_fit_ref   1.337
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     505
_refine_ls_number_reflns         4393
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .26
_refine_ls_R_factor_gt           .067
_refine_ls_shift/su_max          .036
_refine_ls_shift/su_mean         .003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .199
_refine_ls_wR_factor_ref         .144
_reflns_d_resolution_high        .696
_reflns_d_resolution_low         9.275
_reflns_Friedel_coverage         0
_reflns_limit_h_max              18
_reflns_limit_h_min              -18
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              31
_reflns_limit_l_min              1
_reflns_number_gt                4393
_reflns_number_total             11953
_reflns_threshold_expression     'Fsqd >  3.00 sig(Fsqd)'
_cod_data_source_file            b204804c.txt
_cod_data_source_block           ya0104
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      P_1_21/n_1
_cod_database_code               7114169