Syntheses, structures, and magnetic properties of three new cyano-bridged heterobimetallic chains based on [Fe(Tp*)(CN)3]−
Dong, Dapeng; Zhang, Yanjuan; Jiao, Chengqi; Zhao, Liang; Liu, Tao; Liu, Dedi; Li, Zhenghua; Liu, Jia; Liu, Dongping; New J. Chem. 40 (2016) 8451–; doi:10.1039/C6NJ01015F

data_7055719
_publ_section_title
;
 Syntheses, structures, and magnetic properties of three new cyano-bridged
 heterobimetallic chains based on [Fe(Tp*)(CN)3]&#x2212;
;
_journal_issue                   10
_journal_name_full               'New J. Chem.'
_journal_page_first              8451
_journal_paper_doi               10.1039/C6NJ01015F
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C40 H60 B2 Fe3 N18 O6'
_chemical_formula_weight         1078.23
_space_group_crystal_system      orthorhombic
_space_group_IT_number           72
_space_group_name_Hall           '-I 2 2c'
_space_group_name_H-M_alt        'I b a m'
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-08-07 deposited with the CCDC.
2016-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   27.32(4)
_cell_length_c                   14.14(2)
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_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      21.73
_cell_measurement_theta_min      2.48
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1245
_diffrn_reflns_av_unetI/netI     0.0968
_diffrn_reflns_Laue_measured_fraction_full 0.990
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -32
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_diffrn_reflns_point_group_measured_fraction_full 0.990
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_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.479
_exptl_absorpt_coefficient_mu    0.797
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
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_exptl_crystal_description       needle
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_refine_ls_R_factor_all          0.1040
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_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0712P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1421
_refine_ls_wR_factor_ref         0.1618
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1651
_reflns_number_total             2643
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6nj01015f2.cif
_cod_data_source_block           2_sq
_cod_depositor_comments
'Adding full bibliography for 7055717--7055719.cif.'
_cod_original_cell_volume        5785(15)
_cod_database_code               7055719
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