Information card for entry 4322909

Structure parameters

• Formula: C36 H48 B Cr3 O18
• Calculated formula: C36 B Cr3 O18
• SMILES: [Cr]1234([O]5[Cr]6(OC(=[O]1)C)([O]=C(O2)C)(OC(=[O][Cr]5(OC(=[O]3)C)([O]=C(O4)C)(OC(=[O]6)C)[OH2])C)[OH2])[OH2].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: 8.848 ± 0.006 Å
• b: 15.057 ± 0.007 Å
• c: 17.375 ± 0.008 Å
• α: 107.82 ± 0.03°
• β: 104.57 ± 0.04°
• γ: 92.27 ± 0.04°
• Cell volume: 2116 ± 2 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: 0.051
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 2.552
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No