Di-μ-acetato-κ(4) O:O'-bis-[(1,10-phenanthroline-κ(2) N,N')(tri-fluoro-methane-sulfonato-κO)copper(II)].
Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra; Acta crystallographica. Section E, Structure reports online 69 (2013) m591–2; doi:10.1107/S1600536813027323

data_2311199
_publ_section_title
;
 Di-\m-acetato-\k(4) O:O'-bis-[(1,10-phenanthroline-\k(2)
 N,N')(tri-fluoro-methane-sulfonato-\kO)copper(II)].
;
_journal_coeditor_code           IM2439
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Structure reports online'
_journal_page_first              m591
_journal_page_last               2
_journal_paper_doi               10.1107/S1600536813027323
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu2 (C2 H3 O2)2 (C F3 O3 S)2 (C12 H8 N2)2]'
_chemical_formula_moiety         'C30 H22 Cu2 F6 N4 O10 S2'
_chemical_formula_sum            'C30 H22 Cu2 F6 N4 O10 S2'
_chemical_formula_weight         903.72
_chemical_name_systematic
Di-\m-acetato-\k^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(trifluoromethanesulfonato-\k<i>O</i>)copper(II)]
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 95.5070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1198(5)
_cell_length_b                   16.1282(6)
_cell_length_c                   16.3659(6)
_cell_measurement_reflns_used    8485
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.28
_cell_volume                     3447.0(2)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction
'SAINT (Bruker, 2000) and SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material
'PLATON (Spek, 2009) and pubCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega 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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23313
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.450
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.205
_exptl_crystal_size_min          0.178
_refine_diff_density_max         0.374
_refine_diff_density_min         -0.324
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4178
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0624P)^2^+1.5014P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                3491
_reflns_number_total             4178
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            im2439sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311199