Information card for entry 7201316

Structure parameters

• Formula: C30 H28 N10 S2 Zn
• Calculated formula: C30 H28 N10 S2 Zn
• Title of publication: Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,
• Authors of publication: Khanpour, Mojtaba; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2585
• a: 9.5576 ± 0.0005 Å
• b: 16.9548 ± 0.001 Å
• c: 9.6533 ± 0.0005 Å
• α: 90°
• β: 98.63 ± 0.003°
• γ: 90°
• Cell volume: 1546.58 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No