Information card for entry 1551702

Structure parameters

• Formula: C28 H26 Cr N3 O8
• Calculated formula: C28 H26 Cr N3 O8
• SMILES: [Cr]1234([OH]Cc5ccccc5[N]3=Cc3ccccc3O1)[OH]Cc1ccccc1[N]4=Cc1ccccc1O2.O=N(=O)[O-].O
• Title of publication: Synthesis and Crystal Structure of Bis{2-[(2-hydroxymethylphenyl)-iminomethyl]phenolato}chromium(III) nitrate monohydrate
• Authors of publication: KOIKAWA, Masayuki; TOYOFUKU, Takashi; MUTO, Masahiro; YAMADA, Yasunori; TOKII, Tadashi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2012
• Journal volume: 28
• Pages of publication: 33
• a: 9.409 ± 0.005 Å
• b: 12.33 ± 0.005 Å
• c: 13.789 ± 0.005 Å
• α: 116.13 ± 0.03°
• β: 96.99 ± 0.04°
• γ: 104.81 ± 0.04°
• Cell volume: 1337 ± 1.2 ų
• Cell temperature: 305 K
• Ambient diffraction temperature: 305 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No