Information card for entry 7012409

Structure parameters

• Common name: 00381a
• Formula: C26 H46 Fe K N7 O5
• Calculated formula: C26 H46 Fe K N7 O5
• SMILES: [Fe]123([N](CCN1C(=O)NC(C)(C)C)(CCN2C(=O)NC(C)(C)C)Cc1cccc[n]31)OC(=O)C.[K+].O=C(C)N(C)C
• Title of publication: Development of bio-inspired chelates with hydrogen bond donors: synthesis and structure of monomeric metal acetate complexes with intramolecular hydrogen bondsBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.
• Authors of publication: Zart, Matthew K.; Sorrell, Thomas N.; Powell, Douglas; Borovik, A. S.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1986
• a: 10.339 ± 0.003 Å
• b: 11.171 ± 0.004 Å
• c: 14.453 ± 0.005 Å
• α: 79.414 ± 0.007°
• β: 82.092 ± 0.007°
• γ: 86.388 ± 0.007°
• Cell volume: 1624 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1474
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No