<i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')-zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>']
Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M.; Acta Crystallographica Section E 68 (2012) m59–m60; doi:10.1107/S1600536811053177

data_2233257
_publ_section_title
;
 <i>catena</i>-Poly[zinc-tris(\m-dimethylcarbamato-\k^2^<i>O</i>:<i>O</i>')-zinc-\m-(2-phenylbenzimidazolido-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           NK2124
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m59
_journal_page_last               m60
_journal_paper_doi               10.1107/S1600536811053177
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn2 (C13 H9 N2) (C3 H6 N O2)3]'
_chemical_formula_moiety         'C22 H27 N5 O6 Zn2'
_chemical_formula_sum            'C22 H27 N5 O6 Zn2'
_chemical_formula_weight         588.23
_chemical_name_systematic
;
<i>catena</i>-Poly[zinc-tris(\m-dimethylcarbamato-\k^2^<i>O</i>:<i>O</i>')-
zinc-\m-(2-phenylbenzimidazolido-\k^2^<i>N</i>:<i>N</i>']
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   9.0521(13)
_cell_length_b                   9.0521(13)
_cell_length_c                   52.470(11)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    188(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      1
_cell_volume                     3723.4(11)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'<i>XSHELL</i> (Bruker, 2007) and <i>Mercury</i> (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      188(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            26966
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.979
_exptl_absorpt_correction_T_max  0.742
_exptl_absorpt_correction_T_min  0.681
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.239
_refine_ls_abs_structure_details 'Flack (1983), 1754 Friedel pairs'
_refine_ls_abs_structure_Flack   0.011(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4386
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0287
_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^)+(0.0139P)^2^+2.9151P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0575
_refine_ls_wR_factor_ref         0.0586
_reflns_number_gt                4132
_reflns_number_total             4386
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            nk2124.cif
_cod_data_source_block           I
_cod_database_code               2233257
_cod_database_fobs_code          2233257