Information card for entry 4065135

Structure parameters

• Formula: C40 H30 Cr Mo O4 P2
• Calculated formula: C40 H30 Cr Mo O4 P2
• SMILES: [Cr]123456789%10%11[c]%12([cH]1[cH]2[cH]3[cH]4%12)[P]([Mo](C#[O])(C#[O])(C#[O])(C#[O])[P](C15[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%111)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.537 ± 0.002 Å
• b: 10.998 ± 0.002 Å
• c: 17.697 ± 0.004 Å
• α: 82.334 ± 0.009°
• β: 78.593 ± 0.009°
• γ: 85.707 ± 0.008°
• Cell volume: 1989.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0223
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No