Information card for entry 7704686

Structure parameters

• Formula: C28 H46 N4 Os P2
• Calculated formula: C28 H46 N4 Os P2
• SMILES: [Os]1234([P](C=CN2C=C[P]1(C(C)(C)[CH3]4)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[n]1ccccc1c1n3ncc1
• Title of publication: Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.
• Authors of publication: Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 9024 - 9034
• a: 16.6529 ± 0.0008 Å
• b: 10.2535 ± 0.0004 Å
• c: 17.6988 ± 0.0008 Å
• α: 90°
• β: 91.657 ± 0.002°
• γ: 90°
• Cell volume: 3020.8 ± 0.2 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 5
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No