Information card for entry 7012069

Structure parameters

• Formula: C70 H124 B2 Cl2 Cr2 N12 O4
• Calculated formula: C70 H108 B2 Cl2 Cr2 N12 O4
• 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: 23.705 ± 0.001 Å
• b: 17.4924 ± 0.0008 Å
• c: 19.2719 ± 0.0009 Å
• α: 90°
• β: 102.149 ± 0.001°
• γ: 90°
• Cell volume: 7812.3 ± 0.6 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: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No