Information card for entry 4302088

Structure parameters

• Formula: C15 H20 B N5 O5 Re S
• Calculated formula: C15 H20 B N5 O5 Re S
• SMILES: [Re]12([S]=C3N(C=CN3[BH]([H]2)n2[n]1c(c(c2C)CC(=O)OCC)C)C)(N=O)(C#[O])C#[O]
• Title of publication: Rhenium(I) Tricarbonyl Complexes with Poly(azolyl)borates Generated in Situ from an Organometallic Precursor Containing the B-H...Re Coordination Motif
• Authors of publication: Margarida Videira; Carolina Moura; Amitabha Datta; António Paulo; Isabel C. Santos; I. Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4251 - 4257
• a: 7.1432 ± 0.0003 Å
• b: 11.853 ± 0.0005 Å
• c: 12.5983 ± 0.0006 Å
• α: 106.654 ± 0.001°
• β: 91.502 ± 0.001°
• γ: 95.939 ± 0.001°
• Cell volume: 1014.7 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No