Information card for entry 4307611

Structure parameters

• Common name: TrisCrCO5
• Formula: C66 H51 Cr3 N3 O15
• Calculated formula: C66 H51 Cr3 N3 O15
• SMILES: [Cr](C#[N]c1c(cc(C#Cc2cc(C#Cc3cc(C(C)C)c([N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c(c3)C(C)C)cc(c2)C#Cc2cc(c([N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c(c2)C(C)C)C(C)C)cc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Organometallic Fragments Coordinated to a Multiisocyanide Ligand and Their Physical Properties
• Authors of publication: Jong Hyub Paek; Kyu Ho Song; Il Jung; Sang Ook Kang; Jaejung Ko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2787 - 2796
• a: 14.9119 ± 0.0011 Å
• b: 14.9973 ± 0.0011 Å
• c: 18.7576 ± 0.0014 Å
• α: 73.255 ± 0.001°
• β: 69.383 ± 0.002°
• γ: 69.659 ± 0.002°
• Cell volume: 3615.2 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No