Information card for entry 4506118

Structure parameters

• Formula: C80 H0 N8 O8
• Calculated formula: C94 H104.66 N8 O8
• Title of publication: Air-stable spin-coated naphthalocyanine transistors for enhanced chemical vapor detection.
• Authors of publication: Royer, James E.; Zhang, Chengyi; Kummel, Andrew C.; Trogler, William C.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2012
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 6192 - 6200
• a: 8.0487 ± 0.0011 Å
• b: 31.63 ± 0.004 Å
• c: 15.884 ± 0.002 Å
• α: 90°
• β: 102.199 ± 0.002°
• γ: 90°
• Cell volume: 3952.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No