Information card for entry 7712180

Structure parameters

• Formula: C6 H4 N4
• Calculated formula: C6 H4 N4
• Title of publication: A remarkably stable acyclic phosphamethine cyanine dye.
• Authors of publication: Dionisi, Erica M.; Binder, Justin F.; LaFortune, James H. W.; Macdonald, Charles L. B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2448 - 2454
• a: 9.1771 ± 0.0005 Å
• b: 17.3436 ± 0.0009 Å
• c: 12.5507 ± 0.0006 Å
• α: 90°
• β: 94.606 ± 0.002°
• γ: 90°
• Cell volume: 1991.17 ± 0.18 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No