Information card for entry 4081500

Structure parameters

• Formula: C30 H55 Fe N2 O P2 Sc Si
• Calculated formula: C30 H55 Fe N2 O P2 Sc Si
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)N(P(C(C)C)C(C)C)[Sc](C[Si](C)(C)C)(N2P(C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Synthesis of a Dinuclear Ferrocene-Linked Bis(phosphinoamide)scandium Hydride Complex
• Authors of publication: Halcovitch, Nathan R.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5705
• a: 10.2624 ± 0.0006 Å
• b: 10.6936 ± 0.0007 Å
• c: 16.0424 ± 0.001 Å
• α: 79.4543 ± 0.0022°
• β: 86.3043 ± 0.0022°
• γ: 86.4526 ± 0.0021°
• Cell volume: 1724.94 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No