Information card for entry 4076325

Structure parameters

• Formula: C38 H43 Co O4
• Calculated formula: C38 H43 Co O4
• SMILES: [Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.O=C([O-])[C@H]1C2c3ccccc3C([C@H]1C(=O)O)c1c2cccc1
• 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: 12.4741 ± 0.0004 Å
• b: 14.4931 ± 0.0004 Å
• c: 17.3434 ± 0.0005 Å
• α: 87.648 ± 0.002°
• β: 88.802 ± 0.002°
• γ: 80.041 ± 0.002°
• Cell volume: 3085.33 ± 0.16 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: 0.1479
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.3055
• Weighted residual factors for all reflections included in the refinement: 0.3149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No