Silver aggregation caused by Stanna-closo-dodecaborate coordination: syntheses, solid-state structures and theoretical studies.
Hagen, Siegbert; Schubert, Hartmut; Maichle-Mössmer, Cäcilia; Pantenburg, Ingo; Weigend, Florian; Wesemann, Lars; Inorganic chemistry 46 (2007) 6775–6784; doi:10.1021/ic700464d

data_4333274
_publ_section_title
;
 Silver aggregation caused by Stanna-closo-dodecaborate coordination:
 syntheses, solid-state structures and theoretical studies.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6775
_journal_page_last               6784
_journal_paper_doi               10.1021/ic700464d
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C36 H52 Ag2 B22 P2 Sn2, 2(C13 H30 N)'
_chemical_formula_sum            'C62 H112 Ag2 B22 N2 P2 Sn2'
_chemical_formula_weight         1638.42
_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                68.158(6)
_cell_angle_beta                 75.747(7)
_cell_angle_gamma                71.529(6)
_cell_formula_units_Z            1
_cell_length_a                   11.6074(10)
_cell_length_b                   12.8553(11)
_cell_length_c                   14.7336(13)
_cell_measurement_reflns_used    36490
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      1.51
_cell_volume                     1914.9(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'IPDS II (Stoe & Cie)'
_diffrn_measurement_method       '\w and \f 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  0.0789
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            34928
_diffrn_reflns_theta_full        27.26
_diffrn_reflns_theta_max         27.26
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         'not measured'
_exptl_absorpt_coefficient_mu    1.229
_exptl_absorpt_correction_T_max  0.8551
_exptl_absorpt_correction_T_min  0.4758
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
The absorption correction (X-RED V1.22; Stoe & Cie, 2001) 
was performed 
after optimizing the crystal shape using X-SHAPE V1.06 
(Stoe & Cie, 1999).
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.178
_refine_diff_density_min         -0.780
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       0.0080(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         8413
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0265
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0114P)^2^+2.1936P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                7788
_reflns_number_total             8413
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700464dsup4.cif
_cod_data_source_block           lwsh63
_cod_depositor_comments
'Adding full bibliography for 4333271--4333274.cif.'
_cod_database_code               4333274