Information card for entry 4073237

Structure parameters

• Formula: C25 H33 Fe3 N O4 Si3
• Calculated formula: C25 H33 Fe3 N O4 Si3
• SMILES: [Fe]12345678([Fe]9%10%11%12([Si]2([Fe]2%13%14%151(C#[O])(C4=O)[cH]1[cH]2[cH]%13[cH]%14[cH]%151)N([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C3=O)[cH]1[cH]%12[cH]%11[cH]%10[cH]91)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Photochemical Reaction of CpFe(CO)2SiMe3(Cp = η5-C5H5) with a Trihydrosilane Containing a Bulky Amino Substituent, Bis(trimethylsilyl)aminosilane
• Authors of publication: Hirotsu, Masakazu; Nishida, Takuo; Sasaki, Hiromitsu; Muraoka, Takako; Yoshimura, Takashi; Ueno, Keiji
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2495
• a: 10.0782 ± 0.0007 Å
• b: 11.2516 ± 0.0009 Å
• c: 12.1662 ± 0.0008 Å
• α: 90.697 ± 0.003°
• β: 91.267 ± 0.003°
• γ: 100.896 ± 0.004°
• Cell volume: 1354.21 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No