An S = 3 cyanide-bridged tetranuclear Fe(III)(2)Ni(II)(2) square that exhibits slow relaxation of magnetization: synthesis, structure and magnetic properties.
Wu, Dayu; Zhang, Yanjuan; Huang, Wei; Sato, Osamu; Dalton transactions (Cambridge, England : 2003) 39 (2010) 5500–5503; doi:10.1039/b925698a

data_7025203
_publ_section_title
;
 An S = 3 cyanide-bridged tetranuclear Fe(III)(2)Ni(II)(2) square that
 exhibits slow relaxation of magnetization: synthesis, structure and
 magnetic properties.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5500
_journal_page_last               5503
_journal_paper_doi               10.1039/b925698a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C36 H30 B Cl Fe N17 Ni O8'
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_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                85.95(3)
_cell_formula_units_Z            2
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_cell_measurement_temperature    123(2)
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_cell_volume                     2349.1(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      123(2)
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_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  Molybdenum
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_diffrn_reflns_limit_k_max       16
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7749
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1010
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1240P)^2^+7.4789P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2673
_refine_ls_wR_factor_ref         0.2763
_reflns_number_gt                7270
_reflns_number_total             8101
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925698a.txt
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2349.2(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025203