Information card for entry 4065133

Structure parameters

• Formula: C36 H54 Cr P2
• Calculated formula: C36 H54 Cr P2
• SMILES: [Cr]123456789%10([c]%11([cH]4[cH]3[cH]2[cH]1%11)P(C1CCCCC1)C1CCCCC1)[C]1(=[CH]5[CH]6=[CH]7[CH]8=[CH]9C%101)P(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: 14.067 ± 0.003 Å
• b: 19.872 ± 0.004 Å
• c: 11.342 ± 0.002 Å
• α: 90°
• β: 91.392 ± 0.008°
• γ: 90°
• Cell volume: 3169.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No