Information card for entry 4065134

Structure parameters

• Formula: C44 H38 Cr2 O5 P2
• Calculated formula: C44 H38 Cr2 O5 P2
• SMILES: [Cr]123456789%10%11[c]%12([cH]1[cH]2[cH]3[cH]4%12)[P]([Cr](C#[O])(C#[O])(C#[O])(C#[O])[P]([c]15[cH]6[cH]7[cH]8[cH]9[cH]%10[cH]%111)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Metal-Enriched [3]Trochrocenophanes: Bimetallic Metalloarenophanes by Coordination to Chelating Bis(phosphanyls)
• Authors of publication: Braunschweig, Holger; Drisch, Michael; Friedrich, Maria; Kupfer, Thomas; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5202
• a: 10.4357 ± 0.0006 Å
• b: 10.9398 ± 0.0007 Å
• c: 17.5197 ± 0.0011 Å
• α: 82.997 ± 0.003°
• β: 78.777 ± 0.003°
• γ: 84.337 ± 0.003°
• Cell volume: 1941.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No