Information card for entry 7247654

Structure parameters

• Formula: C46 H32 N10
• Calculated formula: C46 H32 N10
• SMILES: N#CC(=C1C=C([C-](C#N)C#N)c2c1cccc2)C#N.N#CC(=C1C=C(c2c1cccc2)[C-](C#N)C#N)C#N.[n+]1(ccc(cc1)c1cc[n+](cc1)CCC)CCC
• Title of publication: Formation of charge-transfer complexes in ionic crystals composed of 1,3-bis(dicyanomethylidene)indan anion and viologens bearing alkyl chains
• Authors of publication: Saito, Erika; Yamakado, Ryohei; Yasuhara, Taichi; Yamaguchi, Hiroto; Okada, Shuji; Yoshida, Tsukasa
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 45
• Pages of publication: 32039 - 32044
• a: 8.648 ± 0.0003 Å
• b: 11.3059 ± 0.0004 Å
• c: 21.0344 ± 0.0007 Å
• α: 74.729 ± 0.003°
• β: 82.132 ± 0.003°
• γ: 70.001 ± 0.003°
• Cell volume: 1861.86 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No