Bis[1,3-bis(diphenylphosphino)propane-κ^2^<i>P,P</i>']silver(I) hemi[cyclopentyldiphenylbis(trifluoroacetato-κ<i>O</i>)stannate(IV)] hemi[triphenylbis(trifluoroacetato-κ<i>O</i>)stannate(IV)]
Teo, Yin Yin; Lo, Kong Mun; Ng, Seik Weng; Acta Crystallographica Section E 60 (2004) m1478–m1480; doi:10.1107/S1600536804023049

data_2204386
_publ_section_title
;
 Bis[1,3-bis(diphenylphosphino)propane-\k^2^<i>P,P</i>']silver(I)
 hemi[cyclopentyldiphenylbis(trifluoroacetato-\k<i>O</i>)stannate(IV)]
 hemi[triphenylbis(trifluoroacetato-\k<i>O</i>)stannate(IV)]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1478
_journal_page_last               m1480
_journal_paper_doi               10.1107/S1600536804023049
_journal_volume                  60
_journal_year                    2004
_chemical_formula_moiety
'C27 H26 Ag P2 +, 0.5 C22 H15 F6 O4 Sn -, 0.5C21 H19 F6 O4 Sn -'
_chemical_formula_sum            'C75.5 H69 Ag F6 O4 P4 Sn'
_chemical_formula_weight         1504.75
_chemical_melting_point
;
[Ag (C27 H26 P2)2] [Sn (C6 H5)3 (C2 F3 O4)2]0.5
[Sn (C6 H5)2 (C5 H9) (C2 F3 O4)2]0.5
;
_chemical_name_systematic
;
Bis[1,3-bis(diphenylphosphino)propane-\k^2^P,P']silver(I)
hemi[cyclopentyldiphenylbis(trifluoroacetato-\kO)stannate(IV)]
hemi[triphenylbis(trifluoroacetato)stannate(IV)]
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.3720(10)
_cell_angle_beta                 93.9850(10)
_cell_angle_gamma                105.4180(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6019(3)
_cell_length_b                   18.0331(5)
_cell_length_c                   18.3529(5)
_cell_measurement_reflns_used    14392
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.3
_cell_volume                     3371.06(16)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Siemens P4/CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26881
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Irregular block'
_exptl_crystal_F_000             1530
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.51
_exptl_crystal_size_min          0.42
_refine_diff_density_max         1.036
_refine_diff_density_min         -0.946
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     961
_refine_ls_number_reflns         13501
_refine_ls_number_restraints     768
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0642P)^2^+6.1836P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1333
_reflns_number_gt                10515
_reflns_number_total             13501
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj6007.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'C75.50 H69 Ag F6 O4 P4 Sn'
_cod_database_code               2204386
_cod_database_fobs_code          2204386