Information card for entry 7207648

Structure parameters

• Formula: C18 H54 Co2 N42 O3
• Calculated formula: C18 H54 Co2 N42 O3
• Title of publication: Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes
• Authors of publication: Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2779
• a: 9.6939 ± 0.001 Å
• b: 14.8594 ± 0.0015 Å
• c: 16.3712 ± 0.0016 Å
• α: 106.433 ± 0.005°
• β: 105.99 ± 0.005°
• γ: 102.997 ± 0.004°
• Cell volume: 2053.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No