Information card for entry 7009002

Structure parameters

• Common name: [Mn2(3-Et,4-Me-pyridine)6(N3)3](PF6)
• Formula: C48 H66 F6 Mn2 N15 P
• Calculated formula: C48 H66 F6 Mn2 N15 P
• Title of publication: Structure and magnetic behaviour of [{Mn2(3-Et,4-Mepy)6(μ1,1-N3)2(μ1,3-N3)}n][PF6]n and [{Mn2(3-ampy)4(μ1,1-N3)2(μ1,3-N3)(N3)(H2O)· 4H2O}n], two alternating ferro‒antiferromagnetic one-dimensional compounds
• Authors of publication: Youssef, Morsy Abu; Escuer, Albert; Goher, Mohamed A. S.; Mautner, Franz A.; Vicente, Ramon
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 413
• a: 8.988 ± 0.003 Å
• b: 10.924 ± 0.004 Å
• c: 15.272 ± 0.005 Å
• α: 99.5 ± 0.03°
• β: 106.81 ± 0.03°
• γ: 98.56 ± 0.03°
• Cell volume: 1384.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections: 0.2356
• Weighted residual factors for significantly intense reflections: 0.2222
• Goodness-of-fit parameter for all reflections: 1.173
• Goodness-of-fit parameter for significantly intense reflections: 1.234
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No