Information card for entry 2006365

Structure parameters

• Chemical name: Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] eclipsed-decacarbonyldichromate(2-).
• Formula: C46 H72 Cr2 K2 N4 O22
• Calculated formula: C46 H72 Cr2 K2 N4 O22
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O].[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9
• Title of publication: [2,2,2-Crypt-K]~2~[Cr~2~(CO)~10~]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry
• Authors of publication: Horst Borrmann; Ayaaz M. Pirani; Gary J. Schrobilgen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1007 - 1010
• a: 11.14 ± 0.002 Å
• b: 12.358 ± 0.002 Å
• c: 20.727 ± 0.004 Å
• α: 87.34 ± 0.03°
• β: 85.66 ± 0.03°
• γ: 88.21 ± 0.03°
• Cell volume: 2841.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.039
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.0767
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No