Information card for entry 2228501

Structure parameters

• Chemical name: Bis{6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate- κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III) monohydrate
• Formula: C30 H32 Ho N5 O14
• Calculated formula: C30 H32 Ho N5 O14
• SMILES: [Ho]12345([O](c6cccc(=CNc7ccc(C)cc7)c6=[O]1)C)([O]=c1c(=CNc6ccc(C)cc6)cccc1[O]2C)(ON(=O)=[O]3)(ON(=O)=[O]5)[O]=N(=O)O4.O
• Title of publication: Bis{6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate-κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III) monohydrate
• Authors of publication: Shen, Jin-Bei; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1603 - m1604
• a: 9.7646 ± 0.0004 Å
• b: 9.9813 ± 0.0004 Å
• c: 18.4281 ± 0.0011 Å
• α: 97.862 ± 0.003°
• β: 101.688 ± 0.003°
• γ: 106.27 ± 0.002°
• Cell volume: 1652.21 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes