Information card for entry 7705803

Structure parameters

• Formula: C96 H60 Ca3 N8 O20
• Calculated formula: C96 H60 Ca3 N8 O20
• Title of publication: Ionic liquid induced highly dense assembly of porphyrin in MOF nanosheets for photodynamic therapy.
• Authors of publication: Qin, Jian-Hua; Zhang, Hua; Sun, Pengfei; Huang, Ya-Dan; Shen, Qingming; Yang, Xiao-Gang; Ma, Lu-Fang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17772 - 17778
• a: 11.969 ± 0.0009 Å
• b: 15.4198 ± 0.001 Å
• c: 17.42 ± 0.0014 Å
• α: 74.789 ± 0.006°
• β: 70.647 ± 0.007°
• γ: 76.008 ± 0.006°
• Cell volume: 2884.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No