Relationship between the Ratio of Ligand to Metal and the Coordinating Ability of Anions. Synthesis and Structural Properties of AgX-Bearing Bis(4-pyridyl)dimethylsilane (X-= NO2-, NO3-, CF3SO3-, and PF6-)
Jung Woon Lee; Eun Ae Kim; Yun Ju Kim; Young-A Lee; Youngshang Pak; Ok-Sang Jung; Inorganic Chemistry 44 (2005) 3151–3155; doi:10.1021/ic048537r

data_4308832
_publ_contact_author_name        'Ok-Sang Jung'
_publ_section_title
;
Relationship between the Ratio of Ligand to Metal and the Coordinating
Ability of Anions. Synthesis and Structural Properties of AgX-Bearing
Bis(4-pyridyl)dimethylsilane (X-= NO2-, NO3-, CF3SO3-, and PF6-)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3151
_journal_page_last               3155
_journal_paper_doi               10.1021/ic048537r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C51 H62 Ag2 F12 N8 O P2 Si4'
_chemical_formula_weight         1421.13
_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                77.0820(10)
_cell_angle_beta                 80.9110(10)
_cell_angle_gamma                76.9680(10)
_cell_formula_units_Z            2
_cell_length_a                   11.1074(8)
_cell_length_b                   16.5400(11)
_cell_length_c                   18.6656(13)
_cell_measurement_temperature    298(2)
_cell_volume                     3235.3(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0447
_diffrn_reflns_av_sigmaI/netI    0.1143
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20979
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.6
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.386
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         14777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.925
_refine_ls_R_factor_all          0.1727
_refine_ls_R_factor_gt           0.0537
_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^)+(0.0834P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1834
_reflns_number_gt                5852
_reflns_number_total             14777
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048537rsi20041020_114205_1.cif
_cod_data_source_block           '[Ag(L)2](PF6)'
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4308832