Information card for entry 7041709

Structure parameters

• Common name: Tetra(n-butyl)ammonium bis(phthalocyaninato)samarate(III)] Methanole Solvate
• Formula: C81 H72 N17 O Sm
• Calculated formula: C81 H68 N17 O Sm
• Title of publication: Flexible crystals of perovskite-like coordination polymers with a tunable and switchable organic guest: (CH3NH3)2[KFe(CN)6] and (CH3NH3)2[KCo(CN)6].
• Authors of publication: Rok, M.; Prytys, J. K.; Kinzhybalo, V.; Bator, G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2322 - 2331
• a: 25.243 ± 0.005 Å
• b: 25.508 ± 0.004 Å
• c: 11.501 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7405 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No