Cyanide-bridged heterobimetallic magnetic complexes based on metalloporphyrinate and tricyanometalate building blocks
Gao, Feng; Zhu, Guang-Zhou; Yang, Liu; Yao, Min-Xia; New J. Chem. 40 (2016) 365–; doi:10.1039/C5NJ02132D

data_7055151
_publ_section_title
;
 Cyanide-bridged heterobimetallic magnetic complexes based on
 metalloporphyrinate and tricyanometalate building blocks
;
_journal_issue                   1
_journal_name_full               'New J. Chem.'
_journal_page_first              365
_journal_paper_doi               10.1039/C5NJ02132D
_journal_volume                  40
_journal_year                    2016
_chemical_formula_sum            'C114 H82.55 B2 Cr2 Mn2 N26 O2.28'
_chemical_formula_weight         2088.50
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2015-10-19 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_measurement_reflns_used    8525
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_cell_measurement_theta_min      2.28
_cell_volume                     5401.5(13)
_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            40604
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_diffrn_reflns_theta_max         25.509
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.218
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0907P)^2^+7.3611P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1737
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_reflns_number_gt                7765
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7055150--7055152.cif.'
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