Information card for entry 7100552

Structure parameters

• Formula: C48 H30 Cl1.5 Co N9
• Calculated formula: C49 H31 Cl3 Co N9
• SMILES: [Co]123(n4cccc4C(c4ccc(cc4)C#N)=C4[N]2=CC=C4)(n2cccc2C(=C2[N]1=CC=C2)c1ccc(C#N)cc1)n1cccc1C(=C1[N]3=CC=C1)c1ccc(C#N)cc1.C(Cl)(Cl)Cl
• Title of publication: A Chiral, Heterometallic Metal-Organic Framework Derived from a Tris(Chelate) Coordination Complex
• Authors of publication: S.M. Cohen; D.L. Murphy; M.R. Malachowski; C.F. Campana
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 14.8303 ± 0.0008 Å
• b: 16.3535 ± 0.0008 Å
• c: 20.0347 ± 0.001 Å
• α: 72.668 ± 0.001°
• β: 68.773 ± 0.001°
• γ: 72.634 ± 0.001°
• Cell volume: 4223.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No