Information card for entry 7012068

Structure parameters

• Formula: C39 H57 B Cl Cr N9
• Calculated formula: C39 H57 B Cl Cr N9
• SMILES: [Cr]123(Cl)([n]4n(c(cc4C(C)C)C(C)C)[BH](n4[n]1c(C(C)C)cc4C(C)C)n1[n]2c(C(C)C)cc1C(C)C)[n]1ccccc1c1[n]3cccc1.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: 12.769 ± 0.001 Å
• b: 17.813 ± 0.002 Å
• c: 9.922 ± 0.002 Å
• α: 95.27 ± 0.04°
• β: 111.2 ± 0.03°
• γ: 86.788 ± 0.008°
• Cell volume: 2094.5 ± 0.7 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: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No