Information card for entry 7700107

Structure parameters

• Formula: C18 H28 Mn N10
• Calculated formula: C17.9999 H27.9998 Mn N10
• Title of publication: Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C₃H₇)₄N] [Mn(N(CN)₂)₃].
• Authors of publication: Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9072 - 9078
• a: 15.6154 ± 0.0013 Å
• b: 17.1417 ± 0.0015 Å
• c: 14.9699 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4007.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.41112 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No