Information card for entry 7053592

Structure parameters

• Formula: C9 H35 Cr N6 O11.5 P3
• Calculated formula: C9 H35 Cr N6 O11.5 P3
• SMILES: [Cr]123([NH2]CCC[NH2]1)([NH2]CCC[NH2]2)[NH2]CCC[NH2]3.P1(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-].O.O.O
• Title of publication: Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds
• Authors of publication: Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2777
• a: 10.4697 ± 0.0003 Å
• b: 14.984 ± 0.0003 Å
• c: 28.6381 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4492.69 ± 0.18 ų
• Cell temperature: 103.1 K
• Ambient diffraction temperature: 103.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No