{μ-Bis(1-methylimidazol-2-yl)methane-κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis{[(1-methylimidazol-2-yl)methane-κ^2^<i>N</i>^3^,<i>N</i>^3'^]copper(I)} bis(trifluoromethanesulfonate)
Matsumoto, Jun; Kajita, Yuji; Masuda, Hideki; Acta Crystallographica Section E 65 (2009) m1286–m1287; doi:10.1107/S1600536809039622

data_2223661
_publ_section_title
;{\m-Bis(1-methylimidazol-2-yl)methane-\k^2^<i>N</i>^3^:<i>N</i>^3'^}bis{[(1-methylimidazol-2-yl)methane-\k^2^<i>N</i>^3^,<i>N</i>^3'^]copper(I)}
 bis(trifluoromethanesulfonate)
;
_journal_coeditor_code           BV2129
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1286
_journal_page_last               m1287
_journal_paper_doi               10.1107/S1600536809039622
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu2 (C9 H12 N4)3] (C F3 S O3)2'
_chemical_formula_moiety         'C27 H36 Cu2 N12 +, 2(C F3 O3 S -)'
_chemical_formula_sum            'C29 H36 Cu2 F6 N12 O6 S2'
_chemical_formula_weight         953.88
_chemical_name_systematic
;
{\m-Bis(1-methylimidazol-2-yl)methane-\k^2^<i>N</i>^3^:<i>N</i>^3'^}bis{[(1-
methylimidazol-2-yl)methane-\k^2^<i>N</i>^3^,<i>N</i>^3'^]copper(I)}
bis(trifluoromethanesulfonate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.118(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   22.5575(11)
_cell_length_b                   7.0307(3)
_cell_length_c                   25.4982(16)
_cell_measurement_reflns_used    10516
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3820.9(3)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CrystalStructure (Rigaku, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      173.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            29376
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.311
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1944.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     515
_refine_ls_number_reflns         8745
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0583P)^2^+1.5952P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1462
_reflns_number_gt                6639
_reflns_number_total             8745
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            bv2129.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C29 H36 Cu2 F6 N12 O6 S2 '
_cod_database_code               2223661
_cod_database_fobs_code          2223661