Information card for entry 2004267

Structure parameters

• Chemical name: Pentacarbonyl(difluoromethyl isocyanide)chromium
• Formula: C7 H Cr F2 N O5
• Calculated formula: C7 H Cr F2 N O5
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[N]C(F)F
• Title of publication: Pentacarbonyl(difluoromethyl isocyanide)chromium at 128 K
• Authors of publication: Lentz, D.; Preugschat, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2482 - 2484
• a: 6.477 ± 0.001 Å
• b: 8.386 ± 0.002 Å
• c: 9.448 ± 0.001 Å
• α: 82.09 ± 0.02°
• β: 69.62 ± 0.02°
• γ: 82.36 ± 0.02°
• Cell volume: 474.48 ± 0.16 ų
• Cell temperature: 128 ± 5 K
• Ambient diffraction temperature: 128 ± 5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for all reflections: 1.091
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No