Information card for entry 4322908

Structure parameters

• Formula: C30 H44 B Cr3 O22
• Calculated formula: C30 B Cr3 O22
• SMILES: [Cr]1234([O]5[Cr]6([O]=CO1)(OC=[O]2)(OC=[O][Cr]5(OC=[O]3)([O]=CO4)(OC=[O]6)[OH2])[OH2])[OH2].O.O.O.O.O.O.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Kinetic Study on the Substitution of Dimethylacetamide for the Terminal Aqua Ligands in the Trinuclear Chromium(III) Complexes [Cr~3~(μ~3~-O)(μ-RCO~2~)~6~(H~2~O)~3~]^+^ (R = H, CH~3~, CH~3~CH~2~, CH~2~Cl, CHCl~2~, CH~3~OCH~2~, (CH~3~)~3~C, CH~2~ClCH~2~, and (CH~3~CH~2~)~2~CH). Elucidation of the Mechanism from the Activation Volumes and the Substituent Effects of Bridging Carboxylate Ligands
• Authors of publication: Takashi Fujihara; Jun Aonahata; Shigekazu Kumakura; Akira Nagasawa; Kazuhiro Murakami; Tasuku Ito
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3779 - 3784
• a: 9.208 ± 0.0008 Å
• b: 14.721 ± 0.002 Å
• c: 15.308 ± 0.002 Å
• α: 79.369 ± 0.006°
• β: 86.513 ± 0.008°
• γ: 79.823 ± 0.008°
• Cell volume: 2006.5 ± 0.4 ų
• Cell temperature: 298 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: 0.064
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for significantly intense reflections: 2.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No