Information card for entry 7012070

Structure parameters

• Formula: C36 H64 B2 Cr N8
• Calculated formula: C36 H64 B2 Cr N8
• SMILES: [BH2]1n2c(cc([n]2[Cr]2([n]3c(C(C)C)cc(C(C)C)n3[BH2]n3c(cc(C(C)C)[n]23)C(C)C)[n]2c(C(C)C)cc(C(C)C)n12)C(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: 10.565 ± 0.002 Å
• b: 10.893 ± 0.003 Å
• c: 8.853 ± 0.002 Å
• α: 89.143 ± 0.005°
• β: 96.89 ± 0.02°
• γ: 96.6 ± 0.01°
• Cell volume: 1004.8 ± 0.4 ų
• Cell temperature: 213 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No