Information card for entry 7110869

Structure parameters

• Formula: C35 H28 Cr2 N8 Na2 O18
• Calculated formula: C35 H24 Cr2 N8 Na2 O18
• SMILES: [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)[n]1c(c3[n]2cccc3)cccc1.[Na+].[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1c(c2[n]3cccc2)cccc1.[Na+].n1n(Cn2nccc2)ccc1.O.O
• Title of publication: Two dimensional stair-shaped coordination polymer exhibiting three-dimensional structure with cavities
• Authors of publication: Zhang, Lei; Cheng, Peng; Tang, Liang-Fu; Jiang, Zong-Hui; Liao, Dai-Zheng; Yan, Shi-Ping; Wang, Geng-Lin; Weng, Lin-Hong
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 717
• a: 9.3366 ± 0.0015 Å
• b: 9.5519 ± 0.0015 Å
• c: 22.527 ± 0.004 Å
• α: 96.259 ± 0.003°
• β: 95.649 ± 0.003°
• γ: 95.673 ± 0.003°
• Cell volume: 1975.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No