Information card for entry 2005848

Structure parameters

• Formula: C46 H72 Cr2 N4 Na2 O22
• Calculated formula: C46 H72 Cr2 N4 Na2 O22
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Na]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[OH]7CC[OH]6CC9.[Na]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[OH]7CC[OH]6CC9
• Title of publication: [2,2,2-Crypt-Na]~2~[Cr~2~(CO)~10~]: a Chromium(‒1) Carbonyl Structure with a Very Weakly Coordinating Cation
• Authors of publication: Borrmann, H.; Pirani, A. M.; Schrobilgen, G. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 19 - 22
• a: 21.393 ± 0.004 Å
• b: 11.586 ± 0.002 Å
• c: 22.635 ± 0.005 Å
• α: 90°
• β: 90.09 ± 0.03°
• γ: 90°
• Cell volume: 5610.3 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Weighted residual factors for all reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.0879
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No