Information card for entry 8107338

Structure parameters

• Formula: C114 H90 Cl18 N12 Nd
• Calculated formula: C114 H90 Cl18 N12 Nd
• Title of publication: The crystal structure of 5,10,15,20-tetrakis(4-(tert-butyl)phenyl)porphyrin-21,23-diido-κ4 N 4-naphthalocyanido-κ4 N 4-neodymium(IV) - chloroform (1/6) C114H90N12Cl18Nd
• Authors of publication: Liguo, Yang; Xin, Wang; Jiaqi, Fu; Xinyu, Ji
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 9 - 12
• a: 17.3389 ± 0.0007 Å
• b: 18.7671 ± 0.0005 Å
• c: 19.1454 ± 0.0008 Å
• α: 79.6 ± 0.003°
• β: 68.752 ± 0.004°
• γ: 68.572 ± 0.003°
• Cell volume: 5396.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No