Information card for entry 7704933

Structure parameters

• Chemical name: 6-azaspiro[5.5]undecane cadmium dicyanamide
• Formula: C16 H20 Cd N10
• Calculated formula: C16 H20 Cd N10
• Title of publication: A new polar perovskite coordination network with azaspiroundecane as A-site cation.
• Authors of publication: Burger, Stefan; Kronawitter, Silva; Boström, Hanna L B; Zaręba, Jan K; Kieslich, Gregor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 31
• Pages of publication: 10740 - 10744
• a: 17.1022 ± 0.0009 Å
• b: 10.7274 ± 0.0005 Å
• c: 10.7037 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.72 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No