Information card for entry 7002286

Structure parameters

• Formula: C18 H34 Co N4 O14
• Calculated formula: C18 H34 Co N4 O14
• SMILES: C1(=O)CC(=O)O[Co]2(O1)([OH2])(OC(=O)CC(=O)O2)[OH2].Cc1cc(N)[nH+]cc1.O.Cc1cc(N)[nH+]cc1.O.O.O
• Title of publication: Robust recognition of malonate and 2-amino-4-picolinium in conjunction with M(ii) as a triad (M = Ni/Co/Mn): role of this highly stable hydrogen-bonded motif in driving supramolecular self-assembly
• Authors of publication: Choudhury, Somnath Ray; Dey, Biswajit; Das, Suranjana; Robertazzi, Arturo; Jana, Atish Dipankar; Chen, Chih-Yuan; Lee, Hon Man; Gamez, Patrick; Mukhopadhyay, Subrata
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7617 - 7624
• a: 7.5389 ± 0.0002 Å
• b: 9.0543 ± 0.0002 Å
• c: 10.4107 ± 0.0003 Å
• α: 93.349 ± 0.002°
• β: 93.305 ± 0.002°
• γ: 112.098 ± 0.001°
• Cell volume: 654.86 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No