First Example of Equatorial-Equatorial Disposition of End-to-End Thiocyanate Bridges in a Polynuclear Copper(II) Complex and Its Relation to the Very Efficient Transmission of the Magnetic Interaction
Jorge A. R. Navarro; M. Angustias Romero; Juan M. Salas; Miguel Quirós; Edward R. T. Tiekink; Inorganic Chemistry 36 (1997) 4988–4991; doi:10.1021/ic970083t

data_4323637
_publ_contact_author
;
 Dr ERT Tiekink,
 Department of Chemistry,
 The University of Adelaide,
 AUSTRALIA 5005
;
_publ_contact_author_email       ' etiekink@chemistry.adelaide.edu.au '
_publ_contact_author_fax         ' 61 8 83034358 '
_publ_contact_author_phone       ' 61 8 83035943 '
_publ_section_title
;
 First Example of Equatorial-Equatorial Disposition of End-to-End
 Thiocyanate Bridges in a Polynuclear Copper(II) Complex and Its Relation
 to the Very Efficient Transmission of the Magnetic Interaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4988
_journal_page_last               4991
_journal_paper_doi               10.1021/ic970083t
_journal_volume                  36
_journal_year                    1997
_chemical_formula_moiety         'C8 H8 Cu N6 O2 S2 '
_chemical_formula_sum            'C8 H8 Cu N6 O2 S2'
_chemical_formula_weight         347.86
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu Jul  4 17:53:03 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                89.45(2)
_cell_angle_beta                 77.44(2)
_cell_angle_gamma                69.75(2)
_cell_formula_units_Z            2
_cell_length_a                   8.408(2)
_cell_length_b                   10.581(3)
_cell_length_c                   7.927(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.4
_cell_measurement_theta_min      7.8
_cell_volume                     644.1(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      293
_diffrn_measurement_device       AFC6R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.10183
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoKalpha
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_diffrn_reflns_limit_k_min       -12
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_diffrn_standards_decay_%        4.28
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.026
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_exptl_absorpt_correction_T_min  0.963
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
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_refine_diff_density_max         0.32
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2143
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0326
_refine_ls_shift/esd_max         0.0033
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          2143
_reflns_number_total             2968
_reflns_observed_criterion       3.00
_cod_data_source_file            ic970083t.cif
_cod_data_source_block           '[IC970083T]'
_cod_original_cell_volume        644.2(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C8 H8 Cu N6 O2 S2 '
_cod_database_code               4323637