The role of intermolecular interactions in [Fe(X-salEen)<sub>2</sub>]ClO<sub>4</sub> spin crossover complexes.
Bento, Marcos A.; Gomes, Tiago; Martins, Frederico F.; Gil, Adrià; Ferreira, Liliana P.; Barroso, Sónia; Gomes, Clara S. B.; Garcia, Yann; Martinho, Paulo N.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 8791–8802; doi:10.1039/d4dt00400k

data_7715852
_publ_section_title
;
 The role of intermolecular interactions in
 [Fe(X-salEen)<sub>2</sub>]ClO<sub>4</sub> spin crossover complexes.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8791
_journal_page_last               8802
_journal_paper_doi               10.1039/d4dt00400k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C22 H28 Cl2 Fe N4 O2, Cl O4'
_chemical_formula_sum            'C22 H28 Cl3 Fe N4 O6'
_chemical_formula_weight         606.68
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-11-25 deposited with the CCDC.	2024-04-26 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      110(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_exptl_crystal_colour            black
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_exptl_crystal_description       prism
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0627
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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^)+(0.0305P)^2^+1.6328P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0746
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_reflns_number_gt                3749
_reflns_number_total             4923
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7715850--7715853.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
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