Information card for entry 4074521

Structure parameters

• Formula: C35 H28 Cr Fe N O4 P
• Calculated formula: C35 H28 Cr Fe N O4 P
• SMILES: [Fe]12345678([c]9([P]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#Cc%10[n+](cccc%10)CC)(c%10ccccc%10)c%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Intermetallic Communication through Carbon Wires in Heterobinuclear Cationic Allenylidene Complexes of Chromium
• Authors of publication: Szesni, Normen; Drexler, Matthias; Maurer, Jörg; Winter, Rainer F.; de Montigny, Frédéric; Lapinte, Claude; Steffens, Stefan; Heck, Jürgen; Weibert, Bernhard; Fischer, Helmut
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 5774
• a: 13.557 ± 0.003 Å
• b: 17.219 ± 0.003 Å
• c: 12.975 ± 0.003 Å
• α: 90°
• β: 97.52 ± 0.03°
• γ: 90°
• Cell volume: 3002.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0988
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No