The synthesis and magnetic properties of a linear mixed-valence [Ni<sub>3</sub>]<sup>5+</sup> in an anthyridine tri-nickel complex.
Hsieh, Chang-Lin; Liu, Tsai-Jung; Song, You; Lee, Gene-Hsiang; Jin, Bih-Yaw; Lin, Tien-Sung; Peng, Shie-Ming; Dalton transactions (Cambridge, England : 2003) 48 (2019) 9912–9915; doi:10.1039/c9dt02022e

data_7700243
_publ_section_title
;
 The synthesis and magnetic properties of a linear mixed-valence
 [Ni<sub>3</sub>]<sup>5+</sup> in an anthyridine tri-nickel complex.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9912
_journal_page_last               9915
_journal_paper_doi               10.1039/c9dt02022e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C106 H114 Cl2 I3 N22 Ni3 O10'
_chemical_formula_weight         2483.92
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-12-04 deposited with the CCDC.    2019-06-10 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.29
_cell_volume                     10606.1(11)
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         27.499
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6316
_exptl_absorpt_correction_type   multi-scan
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         12150
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_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0816
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+138.0801P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1864
_refine_ls_wR_factor_ref         0.1999
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8840
_reflns_number_total             12150
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02022e2.cif
_cod_data_source_block           ic17978
_cod_depositor_comments          'Adding full bibliography for 7700243.cif.'
_cod_database_code               7700243
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              72308