Information card for entry 7014006

Structure parameters

• Formula: C17 H32 Mn2 N12 O20
• Calculated formula: C17 H32 Mn2 N12 O20
• SMILES: [Mn]123([n]4ccccc4C(N)=[N]1NC(C1=[O][Mn]45([N](N1)=C(N)c1cccc[n]41)(ON(=[O]5)=O)([OH2])[OH]C)=[O]2)(ON(=[O]3)=O)([OH2])[OH]C.N(=O)(=O)[O-].N(=O)(=O)[O-].CO.O
• Title of publication: Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.
• Authors of publication: Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1446 - 1455
• a: 7.4206 ± 0.0005 Å
• b: 13.0519 ± 0.0009 Å
• c: 16.7285 ± 0.0012 Å
• α: 90°
• β: 93.754 ± 0.001°
• γ: 90°
• Cell volume: 1616.73 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No