Information card for entry 7012072

Structure parameters

• Formula: C40 H68 B Cl2 Cr N10
• Calculated formula: C40 H68 B Cl2 Cr N10
• SMILES: [Cr]12(Cl)(Cl)([n]3n(c(cc3C(C)C)C(C)C)[BH](n3[n]1c(C(C)C)cc3C(C)C)n1[n]2c(C(C)C)cc1C(C)C)[n]1[nH]c(cc1C(C)C)C(C)C.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: 9.8029 ± 0.0004 Å
• b: 25.021 ± 0.001 Å
• c: 19.785 ± 0.001 Å
• α: 90°
• β: 96.416 ± 0.003°
• γ: 90°
• Cell volume: 4822.4 ± 0.4 ų
• Cell temperature: 213 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No