Information card for entry 7012076

Structure parameters

• Formula: C41 H61 B Cl Cr N6 O4
• Calculated formula: C41 H58 B Cl Cr N6 O4
• SMILES: [Cr]12(Cl)(OC(=O)c3ccccc3)([OH2])[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.OCc1ccccc1
• 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: 27.5884 ± 0.0009 Å
• b: 17.6345 ± 0.0006 Å
• c: 19.9811 ± 0.0004 Å
• α: 90°
• β: 92.699 ± 0.002°
• γ: 90°
• Cell volume: 9710.2 ± 0.5 ų
• Cell temperature: 213 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.2928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.841
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No