Information card for entry 7700105

Structure parameters

• Formula: C18 H28 Mn N10
• Calculated formula: C18 H28 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: 16.2894 ± 0.0005 Å
• b: 16.2894 ± 0.0005 Å
• c: 17.4199 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4622.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.41112 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No