Information card for entry 7114643

Structure parameters

• Formula: C14 H26 K2 Ni O13 S4
• Calculated formula: C14 H26 K2 Ni O13 S4
• SMILES: [Ni]12(OC(=O)C(=C(SC)SC)C(=O)O1)OC(=O)C(=C(SC)SC)C(=O)O2.[K+].[K+].O.O.OC.OC.O
• Title of publication: Truncated trigonal prismatic tubular crystals consisting of a zeolite L-mimic metal-organic framework
• Authors of publication: Tae Hwan Noh; Jaeseong Jang; Woosik Hong; Haeri Lee; Ok-Sang Jung
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7451
• a: 7.3428 ± 0.0002 Å
• b: 13.2262 ± 0.0003 Å
• c: 13.8832 ± 0.0003 Å
• α: 89.836 ± 0.001°
• β: 83.498 ± 0.001°
• γ: 77.413 ± 0.001°
• Cell volume: 1307.1 ± 0.05 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: 0.0462
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No