Information card for entry 4308444

Structure parameters

• Formula: C49 H45 Cl3 Co N9
• Calculated formula: C36.4 H29.6 Cl2.4 Co0.8 N7.2
• SMILES: CCCCC.ClC(Cl)Cl.[Co]123([n]4cccc4=C(c4n1ccc4)c1ccncc1)([n]1c(=C(c4ccncc4)c4n3ccc4)ccc1)[n]1c(=C(c3n2ccc3)c2ccncc2)ccc1
• Title of publication: Heterometallic Metal-Organic Frameworks Based on Tris(dipyrrinato) Coordination Complexes
• Authors of publication: Sara R. Halper; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 486 - 488
• a: 20.9151 ± 0.0015 Å
• b: 18.4021 ± 0.0013 Å
• c: 23.3326 ± 0.0016 Å
• α: 90°
• β: 102.501 ± 0.001°
• γ: 90°
• Cell volume: 8767.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No