Information card for entry 7228856

Structure parameters

• Common name: H6L1
• Formula: C35 H42 Cl2 N2 O11
• Calculated formula: C35 H42 Cl2 N2 O11
• SMILES: OC(=O)c1ccc(cc1)C[NH+](Cc1ccc(cc1)C(=O)O)CCC[NH+](Cc1ccc(C(=O)O)cc1)Cc1ccc(cc1)C(=O)O.[Cl-].[Cl-].O.O.O
• Title of publication: Coordination polymers from a flexible alkyldiamine-derived ligand
• Authors of publication: Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.565 ± 0.0017 Å
• b: 10.777 ± 0.002 Å
• c: 37.736 ± 0.008 Å
• α: 90°
• β: 95.41 ± 0.03°
• γ: 90°
• Cell volume: 3467.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No