3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates
Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun; CrystEngComm 14 (2012) 379–; doi:10.1039/c1ce06356a

data_7207241
_publ_section_title
;
 3D \\rightarrow 3D interpenetrated and 2D \\rightarrow 3D polycatenated
 Ag(i) networks constructed from
 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              379
_journal_paper_doi               10.1039/c1ce06356a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C36 H40 Ag2 N8 O5, H O'
_chemical_formula_sum            'C36 H41 Ag2 N8 O6'
_chemical_formula_weight         897.51
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 91.271(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.193(8)
_cell_length_b                   11.273(5)
_cell_length_c                   8.606(4)
_cell_measurement_reflns_used    2446
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      54.212
_cell_measurement_theta_min      4.476
_cell_volume                     1764.6(14)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            4392
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.13
_diffrn_standards_interval_count 0
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_T_max  0.8921
_exptl_absorpt_correction_T_min  0.8442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             910
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.046
_refine_diff_density_min         -1.874
_refine_diff_density_rms         0.120
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.64(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         3135
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0543
_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^)+(0.0517P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1262
_reflns_number_gt                2900
_reflns_number_total             3135
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce06356a.txt
_cod_data_source_block           p2
_cod_original_cell_volume        1764.6(13)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               7207241