Cascade complexation: a single cyano bridge links a pair of Cu(II) cations.
Bond, Andrew D.; Derossi, Sofia; Harding, Charles J.; McInnes, Eric J. L.; McKee, Vickie; McKenzie, Christine J.; Nelson, Jane; Wolowska, Joanna; Dalton transactions (Cambridge, England : 2003)  (2005) 2403–2409; doi:10.1039/b504916d

data_7008597
_publ_section_title
;
 Cascade complexation: a single cyano bridge links a pair of Cu(II)
 cations.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2403
_journal_page_last               2409
_journal_paper_doi               10.1039/b504916d
_journal_year                    2005
_chemical_formula_moiety
;
C31 H48 Cu2 N9 O3 3+, 3(C F3 O3 S -), 3(H2 O)
;
_chemical_formula_sum            'C34 H54 Cu2 F9 N9 O15 S3'
_chemical_formula_weight         1223.12
_chemical_name_common
;
[Cu~2~(CN)L^3^](CF~3~O~3~S)~3~.3H~2~O
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.201(5)
_cell_length_b                   24.234(12)
_cell_length_c                   27.799(8)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      9.17
_cell_measurement_theta_min      4.74
_cell_volume                     10914(7)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'SHELXTL v.6.10 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL v.6.10 (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXTL v.6.10 (Sheldrick, 2000)'
_computing_structure_solution    'SHELXTL v.6.10 (Sheldrick, 2000)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Siemens P3 diffractometer'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2219
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            6654
_diffrn_reflns_theta_full        22.00
_diffrn_reflns_theta_max         22.00
_diffrn_reflns_theta_min         3.56
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.990
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5024
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.181
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         6654
_refine_ls_number_restraints     588
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.2469
_refine_ls_R_factor_gt           0.1103
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1409P)^2^+75.9049P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2586
_refine_ls_wR_factor_ref         0.3337
_reflns_number_gt                2729
_reflns_number_total             6654
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b504916d.txt
_cod_data_source_block           4
_cod_database_code               7008597