Phosphine-Stabilized Arsenium Salts: Water-Stable, Labile, Coordination Complexes
Keith A. Porter; Anthony C. Willis; Johann Zank; S. Bruce Wild; Inorganic Chemistry 41 (2002) 6380–6386; doi:10.1021/ic020410j

data_4318913
_publ_contact_author_address
;
Research School of Chemistry,
Australian National University,
Canberra, A. C. T. 0200, Australia
;
_publ_contact_author_email       ' sbw@rsc.anu.edu.au '
_publ_contact_author_fax         ' 61 2 6125 0750 '
_publ_contact_author_name        ' S. Bruce Wild '
_publ_contact_author_phone       ' 61 2 6125 4109 '
_publ_section_title
;
 Phosphine-Stabilized Arsenium Salts: Water-Stable, Labile, Coordination
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6380
_journal_page_last               6386
_journal_paper_doi               10.1021/ic020410j
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C25 H23 As P +, F6 P -'
_chemical_formula_sum            'C25 H23 As F6 P2'
_chemical_formula_weight         574.32
_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             2000-09-21
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
2000-09-21 - Report on C25 H23 As F6 P2
                by Anthony C. Willis
                for Johann Zank, Keith A. Porter and S. Bruce Wild

2000-09-21 - passes checkcif tests with no warnings
;
_cell_angle_alpha                90
_cell_angle_beta                 109.066(1)
_cell_angle_gamma                90
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_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction        'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      200.0
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_diffrn_radiation_detector       CCD
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         27.48
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_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.592
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_exptl_absorpt_correction_type   integration
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;
Gaussian integration (Coppens, 1970) implemented in maXus
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_refine_diff_density_max         0.33
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     376
_refine_ls_number_reflns         4898
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.0240
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]
;
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0486
_refine_ls_wR_factor_ref         0.0447
_reflns_number_gt                4898
_reflns_number_total             5543
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            ic020410j_1.cif
_cod_data_source_block           jxz6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2425.78(7)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C25 H23 As F6 P2 '
_cod_database_code               4318913