Information card for entry 7026158

Structure parameters

• Common name: EH-02-77-01 methoxy nitro propiony spiropyran Zn(ClO4)2
• Chemical name: EH-02-77-01 methoxy nitro propiony spiropyran Zn(ClO4)2
• Formula: C23 H23 Cl N2 O6 Zn
• Calculated formula: C23 H23 Cl N2 O6 Zn
• Title of publication: The role of metal ions and counterions in the switching behavior of a carboxylic acid functionalized spiropyran.
• Authors of publication: Natali, Manuel; Aakeröy, Christer; Desper, John; Giordani, Silvia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8269 - 8277
• a: 9 ± 0.01 Å
• b: 7.729 ± 0.009 Å
• c: 37.55 ± 0.04 Å
• α: 90°
• β: 94.774 ± 0.008°
• γ: 90°
• Cell volume: 2603 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3601
• Residual factor for significantly intense reflections: 0.2237
• Weighted residual factors for significantly intense reflections: 0.4372
• Weighted residual factors for all reflections included in the refinement: 0.4679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No