Information card for entry 8101034

Structure parameters

• Formula: C39 H30 Br O3 P2 Re
• Calculated formula: C39 H30 Br O3 P2 Re
• SMILES: [Re](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of cis-bis(triphenylphosphine)-fac-(tricarbonyl)- rhenium(I) bromide, Re(CO)~3~(C~18~H~15~P)~2~Br
• Authors of publication: Horn, E.; Onai, S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 454 - 456
• a: 9.43 ± 0.06 Å
• b: 38.6 ± 0.3 Å
• c: 9.98 ± 0.08 Å
• α: 89.9 ± 0.7°
• β: 108.2 ± 1°
• γ: 90 ± 1°
• Cell volume: 3454 ± 47 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.0646
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No