Ferrocenyl-substituted nitronyl nitroxide in the design of one-dimensional magnets.
Maryunina, Kseniya; Nigomedyanova, Daria; Morozov, Vitaly; Smirnova, Kristina; Letyagin, Gleb; Romanenko, Galina; Efimov, Nikolay; Bogomyakov, Artem; Ovcharenko, Victor; Dalton transactions (Cambridge, England : 2003) 53 (2024) 1714–1721; doi:10.1039/d3dt03858k

data_7714766
_publ_section_title
;
 Ferrocenyl-substituted nitronyl nitroxide in the design of
 one-dimensional magnets.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1714
_journal_page_last               1721
_journal_paper_doi               10.1039/d3dt03858k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C27 H23 F12 Fe N2 O6 Zn'
_chemical_formula_weight         820.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-09-28 deposited with the CCDC.	2023-12-18 downloaded from the CCDC.
;
_cell_angle_alpha                75.379(3)
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_cell_angle_gamma                69.457(3)
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_cell_length_c                   19.1434(10)
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.20
_cell_volume                     3302.3(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0760
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    1.275
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_exptl_absorpt_correction_T_min  0.3333
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         16786
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.823
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_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^)+(0.0478P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.1052
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7403
_reflns_number_total             16786
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7714760--7714766.cif.'
_cod_database_code               7714766
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