Information card for entry 4316436

Structure parameters

• Formula: C38 H28 Fe N4 O4 P S2
• Calculated formula: C38 H28 Fe N4 O4 P S2
• SMILES: [Fe](N=O)(N=O)(N1C(=O)Sc2ccccc12)N1C(=O)Sc2ccccc12.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New Members of the {Fe(NO)2}10 Dinitrosyliron Complexes Bound with [Thiolate, Thiolate] and [Amide, Amide] Ligations
• Authors of publication: Jheng-Hong Wang; Chien-Hong Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7644 - 7646
• a: 15.5535 ± 0.0008 Å
• b: 16.8415 ± 0.0008 Å
• c: 26.588 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6964.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No