Information card for entry 7001083

Structure parameters

• Formula: C24 H48 Fe4 N24 O8
• Calculated formula: C24 H48 Fe4 N24 O8
• SMILES: C1C[N]23CC[O]4[Fe]5673([N]31CC[O]15[Fe]589%10%11[N]%12(CC[N]5(CC[O]%11[Fe](N=N#N)(N=N#N)(N=N#N)([O]68CC%12)[O]7CC3)CC[OH]%10)CC[O]9[Fe]41(N=N#N)(N=N#N)N=N#N)[OH]CC2.C(#N)C.C(#N)C
• Title of publication: High-spin tetranuclear MnII2MnIV2 clusters with unique Mn(ii)–Mn(iv) magnetic exchange: synthesis, structures and magnetism
• Authors of publication: Zhou, Ai-Ju; Liu, Jun-Liang; Herchel, Radovan; Leng, Ji-Dong; Tong, Ming-Liang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3182 - 3192
• a: 10.1541 ± 0.001 Å
• b: 10.5976 ± 0.001 Å
• c: 11.1148 ± 0.001 Å
• α: 72.778 ± 0.002°
• β: 65.002 ± 0.002°
• γ: 70.456 ± 0.002°
• Cell volume: 1004.66 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No