Information card for entry 8107429

Structure parameters

• Formula: C14 H29 Cu3 N12 Na O8 S6
• Calculated formula: C14 H29 Cu3 N12 Na O8 S6
• Title of publication: Crystal structure of sodium catena-poly[bis(thiourea-κ1 S)-tetrakis(μ 2-thiourea-κ2 S,S)tricopper(I)] difumarate, C14H29Cu3N12NaO8S6
• Authors of publication: Shin, Jiehye; Do, Junghwan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 323 - 325
• a: 15.357 ± 0.002 Å
• b: 5.441 ± 0.002 Å
• c: 19.885 ± 0.002 Å
• α: 90°
• β: 106.386 ± 0.003°
• γ: 90°
• Cell volume: 1594.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No