Information card for entry 7012071

Structure parameters

• Formula: C36 H64 B Cl Cr N8
• Calculated formula: C36 H64 B Cl Cr N8
• SMILES: [Cr]1(Cl)([n]2n(c(cc2C(C)C)C(C)C)[BH2]n2[n]1c(C(C)C)cc2C(C)C)([n]1[nH]c(cc1C(C)C)C(C)C)[n]1[nH]c(cc1C(C)C)C(C)C
• 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: 11.91 ± 0.0008 Å
• b: 17.384 ± 0.002 Å
• c: 10.5505 ± 0.0009 Å
• α: 92.709 ± 0.004°
• β: 101.804 ± 0.007°
• γ: 103.243 ± 0.001°
• Cell volume: 2071.2 ± 0.3 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: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No