The dinitrosyliron complex [Fe4(μ3-S)2(μ2-NO)2(NO)6](2-) containing bridging nitroxyls: (15)N (NO) NMR analysis of the bridging and terminal NO-coordinate ligands.
Yeh, Shih-Wey; Tsou, Chih-Chin; Liaw, Wen-Feng; Dalton transactions (Cambridge, England : 2003) 43 (2014) 9022–9025; doi:10.1039/c4dt00450g

data_7030342
_publ_section_title
;
 The dinitrosyliron complex [Fe4(\m3-S)2(\m2-NO)2(NO)6](2-) containing
 bridging nitroxyls: (15)N (NO) NMR analysis of the bridging and terminal
 NO-coordinate ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9022
_journal_page_last               9025
_journal_paper_doi               10.1039/c4dt00450g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C24 H48 Fe4 K2 N8 O20 S2'
_chemical_formula_sum            'C24 H48 Fe4 K2 N8 O20 S2'
_chemical_formula_weight         1134.42
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                99.547(4)
_cell_angle_beta                 109.035(3)
_cell_angle_gamma                113.002(3)
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_cell_length_a                   9.479(2)
_cell_length_b                   11.160(2)
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_cell_measurement_reflns_used    0
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      0
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_cell_volume                     1123.7(4)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0493
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown(dark)
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0957P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3194
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00450g2.cif
_cod_data_source_block           ch15230
_cod_depositor_comments          'Adding full bibliography for 7030342.cif.'
_cod_database_code               7030342