Information card for entry 4310676

Structure parameters

• Formula: C70 H54 Cd2 N8
• Calculated formula: C70 H54 Cd2 N8
• SMILES: [Cd]1234[n]5c6=C(C7=C[N]([Cd]89%10[n]%11c%12=C(C%13=C[N]3=C(C%10%13)C(=c3[n]9c(C=c9n8c(=Cc%11cc%12)cc9)cc3)c3ccccc3)c3ccccc3)=C(C47)C(=c3[n]2c(C=c2n1c(=Cc5cc6)cc2)cc3)c1ccccc1)c1ccccc1.CCCCCC
• Title of publication: Structures and Ligand Exchange of N-Confused Porphyrin Dimer Complexes with Group 12 Metals
• Authors of publication: Hiroyuki Furuta; Tatsuki Morimoto; Atsuhiro Osuka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1618 - 1624
• a: 12.379 ± 0.008 Å
• b: 15.64 ± 0.01 Å
• c: 17.46 ± 0.01 Å
• α: 63.24 ± 0.06°
• β: 78.22 ± 0.06°
• γ: 67.43 ± 0.06°
• Cell volume: 2785 ± 4 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No