Information card for entry 8100218

Structure parameters

• Formula: C36 H32 Fe2 Si
• Calculated formula: C36 H32 Fe2 Si
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]28[c]7([cH]6[cH]51)[C@H]([Si](C)(C)[C@H]1[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[c]47c3ccccc13)[cH]1[cH]8[cH]9[cH]%10[cH]%111)c1c2cccc1.[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]28[c]7([cH]6[cH]51)[C@@H]([Si](C)(C)[C@@H]1[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[c]47c3ccccc13)[cH]1[cH]8[cH]9[cH]%10[cH]%111)c1c2cccc1
• Title of publication: Crystal structure of bis(ferroceno[2,3]inden-1-yl)dimethylsilane, Si(CH~3~)~2~[Fe(C~5~H~5~)(C~12~H~8~)]~2~
• Authors of publication: Müller, A. G.; Schottenberger, H.; Laus, G.; Wurst, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 497 - 498
• a: 6.521 ± 0.002 Å
• b: 12.012 ± 0.004 Å
• c: 18.024 ± 0.004 Å
• α: 94.13 ± 0.02°
• β: 96.64 ± 0.02°
• γ: 98.92 ± 0.03°
• Cell volume: 1379.6 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1232
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No