Information card for entry 7114013

Structure parameters

• Formula: C170 H124 N22 O32 Zn2
• Calculated formula: C98 H64 N10 O8 Zn2
• SMILES: c1c2=C(c3ccc4=C(c5n6[Zn]7([n]34)(n2c(=C(c2ccc(=C(c6cc5)c3ccc(cc3)O)[n]72)c2ccc(cc2)O)c1)[n]1ccc(c2cc[n](cc2)[Zn]234[n]5c6C(=c7ccc(=C(c8ccc(=C(c9ccc(C(=c5cc6)c5ccc(cc5)O)n49)c4ccc(cc4)O)[n]38)c3ccc(cc3)O)n27)c2ccc(cc2)O)cc1)c1ccc(cc1)O)c1ccc(cc1)O
• Title of publication: Crystal engineering of metalloporphyrin assemblies. New supramolecular architectures mediated by bipyridyl ligands
• Authors of publication: Diskin-Posner, Yael; Patra, Goutam Kumar; Goldberg, Israel
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1420
• a: 28.25 ± 0.0006 Å
• b: 26.457 ± 0.0009 Å
• c: 41.481 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31003.3 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1829
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No