Information card for entry 4117502

Structure parameters

• Formula: C124 H119 Cl Mo2 N12 O2
• Calculated formula: C124 H119 Cl Mo2 N12 O2
• Title of publication: Rectangular-Shaped Expanded Phthalocyanines with Two Central Metal Atoms
• Authors of publication: Osamu Matsushita; Valentina M. Derkacheva; Atsuya Muranaka; Soji Shimizu; Masanobu Uchiyama; Evgeny A. Luk'yanets; Nagao Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3411 - 3418
• a: 52.893 ± 0.012 Å
• b: 14.406 ± 0.003 Å
• c: 39.178 ± 0.007 Å
• α: 90°
• β: 104.803 ± 0.004°
• γ: 90°
• Cell volume: 28862 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1314
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No