Information card for entry 4076321

Structure parameters

• Formula: C46 H37 Co O8
• Calculated formula: C46 H37 Co O8
• SMILES: [Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.c1ccc2c(c1)C1c3c(C2[C@H](C(=O)O)[C@@H]1C(=O)[O-])cccc3.c1ccc2c(c1)C1c3c(C2[C@@H]([C@@H]1C(=O)O)C(=O)O)cccc3
• Title of publication: Shape Takes the Lead: Templating Organic 3D-Frameworks around Organometallic Sandwich Compounds
• Authors of publication: Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1688
• a: 6.9519 ± 0.0002 Å
• b: 8.8643 ± 0.0004 Å
• c: 30.6884 ± 0.0009 Å
• α: 87.744 ± 0.003°
• β: 87.644 ± 0.002°
• γ: 77.553 ± 0.003°
• Cell volume: 1844.22 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No