Information card for entry 7011118

Structure parameters

• Formula: C36 H66 Mn2 N8 Na2 O18
• Calculated formula: C35.98 H58 Mn2 N8 Na2 O17.98
• SMILES: [Mn]12345[N]6CCN(CC[N]2=C(C(O3)=[O][Na]237([OH]([Na]8([O]1C(=[O]8)C=6C)([OH]C)([O]=C1C(=[N]6[Mn]89%10([N](CCN(CC6)CC[N]9=C(C(=O)O%10)C)=C(C(=[O]3)[O]28)C)O1)C)[OH]7C)C)[OH]C)C)CC[N]4=C(C(=O)O5)C.CO.CO
• Title of publication: Na±Mediated aggregation of imino-carboxylate transition metal complexes
• Authors of publication: Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 3137 - 3139
• a: 10.094 ± 0.003 Å
• b: 11.423 ± 0.005 Å
• c: 12.613 ± 0.003 Å
• α: 104.16 ± 0.04°
• β: 107.27 ± 0.03°
• γ: 106.27 ± 0.03°
• Cell volume: 1245 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No