Information card for entry 7106573

Structure parameters

• Formula: C6 I Mn N4 O
• Calculated formula: C6 I Mn N4 O
• Title of publication: Structure and magnetic ordering of a 2-D MnII(TCNE)I(OH2) (TCNE = tetracyanoethylene) organic-based magnet (Tc = 171 K)
• Authors of publication: Saul H. Lapidus; Amber C. McConnell; Peter W. Stephens; Joel S. Miller
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7602
• a: 12.71226 ± 0.00038 Å
• b: 9.9961 ± 0.0003 Å
• c: 7.62678 ± 0.00023 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 969.16 ± 0.05 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Goodness-of-fit parameter for all reflections: 1.289
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.699942 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No