Information card for entry 4300156

Structure parameters

• Common name: Cu2DPX
• Formula: C79 H82 Cu2 N8 O
• Calculated formula: C79 H82 Cu2 N8 O
• SMILES: [Cu]123[N]4=C5C=C6N3C(=CC3=[N]2C(=CC2N1C(C(=C4C(=C5CC)C)c1c4Oc5c(C(c4ccc1)(C)C)cccc5C1=C4N5[Cu]78[N]9=C1C(C)=C(CC)C9=CC1N7C(=C(C=1C)CC)C=C1[N]8=C(C(=C1CC)C)C=C5C(CC)=C4C)=C(C)C=2CC)C(C)=C3CC)C(CC)=C6C
• Title of publication: Xanthene-Bridged Cofacial Bisporphyrins
• Authors of publication: Christopher J. Chang; Yongqi Deng; Alan F. Heyduk; C. K. Chang; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 959 - 966
• a: 11.2141 ± 0.0001 Å
• b: 14.9539 ± 0.0005 Å
• c: 20.6915 ± 0.0007 Å
• α: 101.81 ± 0.002°
• β: 101.044 ± 0.002°
• γ: 101.722 ± 0.002°
• Cell volume: 3225.7 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1994
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No