Information card for entry 7035861

Structure parameters

• Formula: C34 H32 N2 O8
• Calculated formula: C34 H32 N2 O8
• SMILES: OC(=O)c1ccc(cc1)CN(Cc1ccc(cc1)C(=O)O)CCN(Cc1ccc(cc1)C(=O)O)Cc1ccc(cc1)C(=O)O
• Title of publication: Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.
• Authors of publication: Hawes, Chris S.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Knowles, Gregory P.; Chaffee, Alan L.; Murray, Keith S.; Batten, Stuart R.; Turner, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17494 - 17507
• a: 6.888 ± 0.0014 Å
• b: 9.516 ± 0.0019 Å
• c: 22.333 ± 0.005 Å
• α: 91.24 ± 0.03°
• β: 94.48 ± 0.03°
• γ: 94.64 ± 0.03°
• Cell volume: 1454 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No