Probing bistability in Fe(II) and Co(II) complexes with an unsymmetrically substituted quinonoid ligand.
van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Dechert, Sebastian; Marx, Raphael; Dörfel, María; Neugebauer, Petr; van Slageren, Joris; Sarkar, Biprajit; Dalton transactions (Cambridge, England : 2003) 45 (2016) 8394–8403; doi:10.1039/c6dt00757k

data_7038960
_publ_section_title
;
 Probing bistability in Fe(II) and Co(II) complexes with an
 unsymmetrically substituted quinonoid ligand.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8394
_journal_page_last               8403
_journal_paper_doi               10.1039/c6dt00757k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C36 H36 Cl2 Fe N5 O3 +, B F4 -, 2(C H2 Cl2)'
_chemical_formula_sum            'C38 H40 B Cl6 F4 Fe N5 O3'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-09 deposited with the CCDC.
2016-04-06 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      133(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       \w
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0692P)^2^+11.7229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7959
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7038960--7038961.cif.'
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