A unique heteropentanuclear CuII2CoIICoIII2 complex, synthesised from metallic Cu and Co acetate in the presence of triethanolamine. Magnetic properties and a strong H-bond stabilised lattice
Valeriya G. Makhankova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Brian W. Skelton; Jan Reedijk; Gerard A. Van Albada; Lorenzo Sorace; Dante Gatteschi; New J. Chem. 25 (2001) 685–689; doi:10.1039/b009194o

data_7051082
_publ_section_title
;
 A unique heteropentanuclear CuII2CoIICoIII2 complex, synthesised from
 metallic Cu and Co acetate in the presence of triethanolamine.
 Magnetic properties and a strong H-bond stabilised lattice
;
_journal_issue                   5
_journal_name_full               'New J. Chem.'
_journal_page_first              685
_journal_page_last               689
_journal_paper_doi               10.1039/b009194o
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C36 H72 Co3 Cu2 N4 O24'
_chemical_formula_weight         1248.87
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                88.55(2)
_cell_angle_beta                 83.61(2)
_cell_angle_gamma                86.50(2)
_cell_formula_units_Z            1
_cell_length_a                   7.181(2)
_cell_length_b                   12.321(2)
_cell_length_c                   14.958(3)
_cell_measurement_temperature    293
_cell_volume                     1312.5(5)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        'SHELXS-86 (Sheldrick, 1990)'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993) and xtal'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'CAD4 diffractometer'
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .036
_diffrn_reflns_av_sigmaI/netI    .088
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.806
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            brown-pink
_exptl_crystal_density_diffrn    1.58
_exptl_crystal_description       irregular
_exptl_crystal_F_000             647
_refine_diff_density_max         .974
_refine_diff_density_min         -.778
_refine_ls_goodness_of_fit_all   1.19
_refine_ls_goodness_of_fit_ref   1.318
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     322
_refine_ls_number_reflns         2891
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .114
_refine_ls_R_factor_gt           .062
_refine_ls_shift/su_max          .033
_refine_ls_shift/su_mean         .003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .076
_refine_ls_wR_factor_ref         .066
_reflns_d_resolution_high        .842
_reflns_d_resolution_low         14.818
_reflns_Friedel_coverage         0
_reflns_limit_h_max              8
_reflns_limit_h_min              0
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              17
_reflns_limit_l_min              -17
_reflns_number_gt                3005
_reflns_number_total             4615
_reflns_threshold_expression     'I    > 2  sig(I   )'
_cod_data_source_file            b009194o.txt
_cod_data_source_block           vas221
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               7051082