Information card for entry 4101011

Structure parameters

• Formula: C23 H14 Cr N2 O9
• Calculated formula: C23 H14 Cr N2 O9
• SMILES: [Cr](C#[N]c1c(c2ccc(ccc2c1C(=O)OCC)[N]#[C])C(=O)OCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 24.13 ± 0.015 Å
• b: 12.02 ± 0.008 Å
• c: 16.008 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4643 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No