Information card for entry 7012075

Structure parameters

• Formula: C49 H65.5 B Cr N8.5 O2
• Calculated formula: C49 H65.5 B Cr N8.5 O2
• SMILES: [Cr]123(OC(=C(O1)c1ccccc1)c1ccccc1)([n]1n(c(cc1C(C)C)C(C)C)[BH](n1[n]2c(C(C)C)cc1C(C)C)n1[n]3c(C(C)C)cc1C(C)C)[n]1ccccc1.N#CC.N#CC
• Title of publication: Di- and tri-valent chlorochromium complexes bearing hydrotris(3,5-diisopropylpyrazolyl)borato ligand (TpiPr2), TpiPr2CrCln(L) (n = 1, 2) and [TpiPr2Cr(μ-Cl)]2: flexible coordination behavior of the TpiPr2 ligand and reduction features of Cr(ii) species
• Authors of publication: Sugawara, Ken-ichiro; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4514
• a: 18.305 ± 0.004 Å
• b: 19.783 ± 0.005 Å
• c: 14.399 ± 0.004 Å
• α: 99.06 ± 0.02°
• β: 100.95 ± 0.01°
• γ: 101.12 ± 0.01°
• Cell volume: 4920 ± 2 ų
• Cell temperature: 213 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.605
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No