Information card for entry 7110701

Structure parameters

• Formula: C56 H96 Li2 N4 Ni O12
• Calculated formula: C56 H96 Li2 N4 Ni O12
• Title of publication: Porphodimethene–porphyrinogen relationship: the generation of unprecedented forms of porphyrinogen†
• Authors of publication: Bonomo, Lucia; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo; Latronico, Mario
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 2227
• a: 12.269 ± 0.003 Å
• b: 19.417 ± 0.004 Å
• c: 26.192 ± 0.005 Å
• α: 90°
• β: 103.49 ± 0.03°
• γ: 90°
• Cell volume: 6067 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No