An alternating copolymer containing trigonal planar homocoordinated copper(I) ions: <i>catena</i>-poly[[[bis[μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(perchlorate) acetonitrile disolvate]
Stibrany, Robert T.; Potenza, Joseph A.; Acta Crystallographica Section C 64 (2008) m213–m216; doi:10.1107/S0108270108002618

data_2016587
_publ_section_title
;An alternating copolymer containing trigonal planar homocoordinated copper(I)
 ions:
 <i>catena</i>-poly[[[bis[\m-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-\k^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(I)]-\m-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-\k^2^<i>N</i>^3^:<i>N</i>^3'^]
 bis(perchlorate) acetonitrile disolvate]
;
_journal_coeditor_code           GZ3116
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m213
_journal_page_last               m216
_journal_paper_doi               10.1107/S0108270108002618
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (C20 H20 N4)3] (Cl O4)2 , 2C2 H3 N'
_chemical_formula_moiety         'C30 H30 Cu N6 +, Cl O4 -, C2 H3 N'
_chemical_formula_sum            'C32 H33 Cl Cu N7 O4'
_chemical_formula_weight         678.64
_chemical_name_systematic
;\k^2^N^3^:N^3'^]dicopper(I)]-\m-(<i>E</i>)-1,2-bis(1-ethyl-1H-benzimidazol-2-yl)ethene-\k^2^N^3^:N^3'^]
 bis(perchlorate) acetonitrile disolvate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 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                 97.039(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.834(6)
_cell_length_b                   12.948(4)
_cell_length_c                   23.502(10)
_cell_measurement_reflns_used    1014
_cell_measurement_temperature    297.0(10)
_cell_measurement_theta_max      25.153
_cell_measurement_theta_min      2.404
_cell_volume                     6594(4)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-32 (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Version 6.10; Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297.0(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0180
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            30631
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.40
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Blessing, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6478
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0645P)^2^+2.91P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0964
_reflns_number_gt                5414
_reflns_number_total             6478
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gz3116.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (3
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               2016587
_cod_database_fobs_code          2016587