Information card for entry 4312953

Structure parameters

• Formula: C67 H68 Cl2 F6 Fe2 N3 O2 P4 Sb
• Calculated formula: C67 H60 Cl2 F6 Fe2 N3 O2 P4 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(N=C=NC#[N][Fe]16789([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]9[cH]8[cH]7[cH]61)[cH]1[cH]2[cH]3[cH]4[cH]51.OC.OC.C(Cl)Cl
• Title of publication: Syntheses, Structures, and Electronic Interactions of Dicyanamide/Tricyanomethanide-Bridged Binuclear Organometallic Complexes
• Authors of publication: Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 633 - 640
• a: 13.2975 ± 0.0002 Å
• b: 18.5124 ± 0.0004 Å
• c: 29.1127 ± 0.0004 Å
• α: 90°
• β: 102.137 ± 0.001°
• γ: 90°
• Cell volume: 7006.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1839
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No