Information card for entry 7027330

Structure parameters

• Formula: C44 H44 B N4 O2 P2 Re
• Calculated formula: C44 H44 B N4 O2 P2 Re
• SMILES: [ReH2]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[O](C)[B](OC)(n3[n]1ccc3)n1[n]2ccc1
• Title of publication: Rhenium-(III) and -(V) hydride complexes with modified poly(pyrazolyl)borates
• Authors of publication: Paulo, António; Ascenso, José; Domingos, Ângela; Galvão, Adelino; Santos, Isabel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 1293
• a: 11.625 ± 0.002 Å
• b: 12.683 ± 0.003 Å
• c: 15.885 ± 0.004 Å
• α: 96.65 ± 0.02°
• β: 100.2 ± 0.02°
• γ: 115.54 ± 0.02°
• Cell volume: 2030.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.1845
• Weighted residual factors for significantly intense reflections: 0.156
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No