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_7714761
_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            'C64 H48 Cu3 F36 Fe2 N4 O16'
_chemical_formula_weight         2115.38
_space_group_crystal_system      triclinic
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_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                86.613(5)
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_cell_angle_gamma                83.519(6)
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_cell_length_c                   14.0205(13)
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.28
_cell_volume                     1994.7(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_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
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    1.290
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.773
_refine_ls_R_factor_all          0.1004
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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^)+(0.0504P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0978
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4993
_reflns_number_total             10991
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03858k2.cif
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_cod_depositor_comments
'Adding full bibliography for 7714760--7714766.cif.'
_cod_database_code               7714761
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