“Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane
Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki; Crystal Growth & Design 2 (2002) 497–; doi:10.1021/cg025555f

data_4505828
_publ_section_title
;
 &#x201C;Cyclic Tetramer&#x201D; vs &#x201C;Dimer of Cyclic
 Dimer&#x201D;:&#x2009; Subtle Anion Effects on the Cyclization of AgBF4vs
 AgClO4with Bis(3-pyridyl)dimethylsilane
;
_journal_issue                   6
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              497
_journal_paper_doi               10.1021/cg025555f
_journal_volume                  2
_journal_year                    2002
_chemical_formula_sum            'C48 H56 Ag4 Cl4 N8 O16 Si4'
_chemical_formula_weight         1686.65
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.0808(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5075(2)
_cell_length_b                   32.3068(7)
_cell_length_c                   15.6988(3)
_cell_measurement_temperature    293(2)
_cell_volume                     6225.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0626
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22435
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.559
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3360
_refine_diff_density_max         1.285
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.273
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         13398
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1206P)^2^+10.9112P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1716
_refine_ls_wR_factor_ref         0.2206
_reflns_number_gt                8443
_reflns_number_total             13398
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg025555f_s1.cif
_cod_data_source_block           si
_cod_database_code               4505828