Ethylene Oxide and Propylene Sulfide Complexes of Silver(I): Synthesis and Characterization of [HB(3,5-(CF3)2Pz)3]Ag(OC2H4) and [HB(3,5-(CF3)2Pz)3]Ag(SC3H6)
H. V. Rasika Dias; Ziyun Wang; Inorganic Chemistry 39 (2000) 3724–3727; doi:10.1021/ic991334w

data_4321246
_publ_section_title
;
 Ethylene Oxide and Propylene Sulfide Complexes of Silver(I): Synthesis
 and Characterization of [HB(3,5-(CF3)2Pz)3]Ag(OC2H4) and
 [HB(3,5-(CF3)2Pz)3]Ag(SC3H6)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3724
_journal_page_last               3727
_journal_paper_doi               10.1021/ic991334w
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C18 H10 Ag B F18 N6 S'
_chemical_formula_weight         803.06
_chemical_name_common            '[HB(3,5-(CF3)2Pz)3]AgSC3H6'
_chemical_name_systematic
; 
 ? 
;
_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                66.305(13)
_cell_angle_beta                 76.535(10)
_cell_angle_gamma                75.040(11)
_cell_formula_units_Z            2
_cell_length_a                   8.1647(12)
_cell_length_b                   12.709(2)
_cell_length_c                   14.849(2)
_cell_measurement_reflns_used    34
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      13.33
_cell_measurement_theta_min      5.15
_cell_volume                     1348.5(4)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_method       '\w scans'
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4306
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        22.04
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_T_max  0.9209
_exptl_absorpt_correction_T_min  0.6538
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.978
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocks
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.179
_refine_diff_density_min         -1.202
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         3429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0880P)^2^+0.9946P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                3039
_reflns_number_total             3429
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991334w_2.cif
_cod_data_source_block           rd192
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1348.4(3)
_cod_database_code               4321246