Switching of magnetic properties by topotactic reaction in a 1D CN-bridged Ni(II)-Nb(IV) system.
Heczko, Michał; Nowicka, Beata; Dalton transactions (Cambridge, England : 2003) 53 (2024) 5788–5795; doi:10.1039/d3dt03891b

data_7715116
_publ_section_title
;
 Switching of magnetic properties by topotactic reaction in a 1D
 CN-bridged Ni(II)-Nb(IV) system.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5788
_journal_page_last               5795
_journal_paper_doi               10.1039/d3dt03891b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C18 H36 Li2 N12 Nb Ni O6'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2023-07-07 deposited with the CCDC.	2024-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_description       plate
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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^)+(0.0112P)^2^+2.0605P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0578
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3293
_reflns_number_total             3483
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03891b2.cif
_cod_data_source_block           1_straight_chain_NiNb
_cod_depositor_comments
'Adding full bibliography for 7715116--7715117.cif.'
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               7715116
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.842
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_shelx_res_checksum              6663