Information card for entry 4063040

Structure parameters

• Formula: C54 H24 Cr Mn6 N6 O18
• Calculated formula: C54 H24 Cr Mn6 N6 O18
• SMILES: [Cr](C#[N][c]12[cH]3[Mn]451([cH]3[cH]4[cH]25)(C#[O])(C#[O])C#[O])(C#[N][c]12[cH]3[Mn]451([cH]3[cH]4[cH]25)(C#[O])(C#[O])C#[O])(C#[N][c]12[cH]3[Mn]451([cH]2[cH]4[cH]35)(C#[O])(C#[O])C#[O])(C#[N][c]12[cH]3[Mn]451([cH]3[cH]4[cH]25)(C#[O])(C#[O])C#[O])(C#[N][c]12[cH]3[Mn]451([cH]2[cH]4[cH]35)(C#[O])(C#[O])C#[O])C#[N][c]12[cH]3[Mn]451([cH]3[cH]4[cH]25)(C#[O])(C#[O])C#[O]
• Title of publication: Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation
• Authors of publication: Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 12.422 ± 0.003 Å
• b: 12.638 ± 0.003 Å
• c: 16.81 ± 0.003 Å
• α: 94.215 ± 0.004°
• β: 91.765 ± 0.004°
• γ: 93.017 ± 0.004°
• Cell volume: 2626.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No