One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole
Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong; Acta Crystallographica Section C 69 (2013) 1017–1021; doi:10.1107/S0108270113019963

data_2019143
_publ_section_title
;
 One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers
 supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1017
_journal_page_last               1021
_journal_paper_doi               10.1107/S0108270113019963
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu (C15 H15 N3)2] B F4, C2 H3 N'
_chemical_formula_moiety         'C30 H30 Cu N6 +, B F4 -, C2 H3 N'
_chemical_formula_sum            'C32 H33 B Cu F4 N7'
_chemical_formula_weight         666.00
_chemical_name_systematic
;Poly[[bis[\m~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-\k^2^<i>N</i>^1^:<i>N</i>^3^]copper(I)] tetrafluoroborate acetonitrile
monosolvate]
;
_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                89.912(2)
_cell_angle_beta                 72.786(2)
_cell_angle_gamma                84.5990(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3674(4)
_cell_length_b                   12.5367(6)
_cell_length_c                   13.3150(7)
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.21
_cell_volume                     1486.42(12)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14603
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    0.796
_exptl_absorpt_correction_T_max  0.8899
_exptl_absorpt_correction_T_min  0.6135
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.175
_refine_diff_density_min         -0.912
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6748
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0470
_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^)+(0.0762P)^2^+1.6320P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1368
_refine_ls_wR_factor_ref         0.1414
_reflns_number_gt                6004
_reflns_number_total             6748
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wq3040.cif
_cod_data_source_block           1
_cod_database_code               2019143
_cod_database_fobs_code          2019143