Information card for entry 7011119

Structure parameters

• Formula: C30 H62 Mn2 N8 Na2 O22
• Calculated formula: C30 H42 Mn2 N8 Na2 O22
• SMILES: [Mn]12345[N]6CCN7CC[N]2=C(C(=O)[O]3[Na]2([O]1C(=O)C=6C)([O]5C(=O)C(=[N]4CC7)C)([OH2][Na]13([O]4[Mn]5678[N](CCN(CC[N]5=C(C(=O)[O]16)C)CC[N]7=C(C(=O)[O]38)C)=C(C4=O)C)([OH2]2)[OH2])[OH2])C.O.O.O.O.O.O
• 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: 10.062 ± 0.004 Å
• b: 11.572 ± 0.004 Å
• c: 12.334 ± 0.01 Å
• α: 65.02 ± 0.04°
• β: 66.08 ± 0.04°
• γ: 71.21 ± 0.03°
• Cell volume: 1170.1 ± 1.2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No