Metal-ion induced ferromagnetic polarization in mixed-spin system
Song, You; Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Dalton Trans.  (2017) –; doi:10.1039/C7DT00753A

data_7042739
_publ_section_title
;
 Metal-ion induced ferromagnetic polarization in mixed-spin system
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT00753A
_journal_year                    2017
_chemical_formula_sum            'C48 H45 Cl Cu3 Ni O24'
_chemical_formula_weight         1290.62
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-04-06 deposited with the CCDC.
2017-04-20 downloaded from the CCDC.
;
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_cell_measurement_theta_min      1.868
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_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_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_min       -68
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.868
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_refine_ls_R_factor_all          0.0619
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0574P)^2^+11.0805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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