Information card for entry 7027407

Structure parameters

• Formula: C20 H21 Cr O9
• Calculated formula: C20 H18 Cr O9
• SMILES: [Cr]123456789%10([cH]%11[cH]5[cH]4[cH]3[cH]2[cH]1%11)[cH]1[cH]%10[cH]9[cH]8[cH]7[cH]61.[C@@H]1([C@H]([C@@H]([C@@H]1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.O
• Title of publication: Organometallic crystal engineering with multidentate building blocks and template guest size effect. Supra-anionic organic frameworks obtained from cyclobutane-1,2,3,4-tetracarboxylic and trans-acotinic acids †
• Authors of publication: Braga, Dario; Benedi, Oscar; Maini, Lucia; Grepioni, Fabrizia
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2611
• a: 13.24 ± 0.01 Å
• b: 13.79 ± 0.02 Å
• c: 11.2 ± 0.01 Å
• α: 90°
• β: 112.63 ± 0.07°
• γ: 90°
• Cell volume: 1887 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.4195
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections: 0.926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No