Unprecedented nitrosyl-bridged double-A-frame triplatinum complexes, [Pt3(μ-triphosphine)2(μ-NO)2(RNC)2](BF4)4
Tanase, Tomoaki; Hamaguchi, Makiko; Ara Begum, Rowshan; Yano, Shigenobu; Yamamoto, Yasuhiro; Chemical Communications  (1999) 745–; doi:10.1039/a900302i

data_7115233
_publ_section_title
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 Unprecedented nitrosyl-bridged double-A-frame triplatinum complexes,
 [Pt3(\m-triphosphine)2(\m-NO)2(RNC)2](BF4)4
;
_journal_issue                   8
_journal_name_full               'Chemical Communications'
_journal_page_first              745
_journal_paper_doi               10.1039/a900302i
_journal_year                    1999
_chemical_formula_sum            'C83 H84 B4 Cl2 F16 N4 O5 P6 Pt3'
_chemical_formula_weight         2406.83
_chemical_name_common            2a
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Fri Jan 15 11:57:42 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 110.49(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.873(4)
_cell_length_b                   29.350(6)
_cell_length_c                   14.826(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    157.2
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      20.0
_cell_volume                     5247(3)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      157.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00057
_diffrn_orient_matrix_UB_12      -0.03075
_diffrn_orient_matrix_UB_13      0.02923
_diffrn_orient_matrix_UB_21      0.00688
_diffrn_orient_matrix_UB_22      -0.01461
_diffrn_orient_matrix_UB_23      -0.05858
_diffrn_orient_matrix_UB_31      0.08264
_diffrn_orient_matrix_UB_32      0.00143
_diffrn_orient_matrix_UB_33      0.02997
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_av_sigmaI/netI    0.054
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9644
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        -3.03
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.189
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            palegreen
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2344.00
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.83
_refine_diff_density_min         -1.30
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   none
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.528
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     492
_refine_ls_number_reflns         6842
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.0440
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00024|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                6842
_reflns_number_total             9211
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            900302i.txt
_cod_data_source_block           '[Pt3dpmp2Xyl2(NO)2]'
_cod_depositor_comments
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The following automatic conversions were performed:
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file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

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'_atom_type_scat_imag'
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Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
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_cod_original_cell_volume        5246(2)
_cod_original_sg_symbol_H-M      'P 21/c       '
_cod_database_code               7115233