Synthesis and Structure of Coordination Polymers of Ag(I) with Isomeric (Aminomethyl)pyridines. Formation of A Novel Circular Helicate and 2-D Networks via Ag...Ag Contacts and Coordination Shell Expansion under Anion Control
S. Sailaja; M. V. Rajasekharan; Inorganic Chemistry 42 (2003) 5675–5684; doi:10.1021/ic0342292

data_4314164
_publ_section_title
;
 Synthesis and Structure of Coordination Polymers of Ag(I) with Isomeric
 (Aminomethyl)pyridines. Formation of A Novel Circular Helicate and 2-D
 Networks via Ag...Ag Contacts and Coordination Shell Expansion under
 Anion Control
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5675
_journal_page_last               5684
_journal_paper_doi               10.1021/ic0342292
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C6 H8 Ag N2, B F4'
_chemical_formula_sum            'C6 H8 Ag B F4 N2'
_chemical_formula_weight         302.82
_chemical_name_systematic
; 
 [(2-aminomethyl)pyridine]silver(I) tetrafluoroborate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 123.671(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.788(2)
_cell_length_b                   11.5719(6)
_cell_length_c                   11.3864(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13.97
_cell_measurement_theta_min      11.67
_cell_volume                     1840.9(3)
_computing_cell_refinement       'CAD-4 Data collection software'
_computing_data_collection       'CAD-4 Data collection software'
_computing_data_reduction        'XTAL 3.5'
_computing_molecular_graphics    'ORTEP-III (Burnett & Johnson, 1996'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.469
_diffrn_measured_fraction_theta_max 0.469
_diffrn_measurement_device_type  CAD-4
_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  0.0062
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2215
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.52
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.210
_exptl_absorpt_correction_T_max  0.9852
_exptl_absorpt_correction_T_min  0.9441
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North et al., 1968'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.354
_refine_diff_density_min         -0.596
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.00313(17)
_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   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2078
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0195
_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^)+(0.0232P)^2^+1.5807P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0478
_refine_ls_wR_factor_ref         0.0489
_reflns_number_gt                1843
_reflns_number_total             2078
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0342292si20030302_045624_1.cif
_cod_data_source_block           compound1
_cod_database_code               4314164