Information card for entry 7000198

Structure parameters

• Formula: C55 H42 N4 Os P2
• Calculated formula: C55 H42 N4 Os P2
• SMILES: [Os]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C(=C(C#N)C#N)C=C(C#N)C#N)[cH]5[cH]1[cH]2[cH]3[cH]45.c1ccccc1
• Title of publication: Tricyanovinylalkynyl‒metal complexes: synthesis and some reactions
• Authors of publication: Bruce, Michael I.; Burgun, Aléxandre; Kramarczuk, Kathy A.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 33 - 36
• a: 9.8081 ± 0.0007 Å
• b: 10.9462 ± 0.0008 Å
• c: 21.134 ± 0.002 Å
• α: 95.985 ± 0.002°
• β: 90.544 ± 0.002°
• γ: 102.438 ± 0.002°
• Cell volume: 2202.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No