Information card for entry 2228913

Structure parameters

• Chemical name: 1,10-Phenanthrolin-1-ium nitrate‒ aquabis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato- κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')erbium(III)‒\1,10-phenanthroline‒water (1/1/0.5/2)
• Formula: C44 H37 Er N7 O15
• Calculated formula: C44 H37 Er N7 O15
• Title of publication: 1,10-Phenanthrolin-1-ium nitrate‒aquabis(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)‒1,10-phenanthroline‒water (1/1/0.5/2)
• Authors of publication: Shen, Fwu Ming; Lush, Shie Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m86 - m87
• a: 10.9464 ± 0.0002 Å
• b: 11.3682 ± 0.0003 Å
• c: 19.2638 ± 0.0005 Å
• α: 77.108 ± 0.002°
• β: 84.79 ± 0.002°
• γ: 67.25 ± 0.002°
• Cell volume: 2154.95 ± 0.1 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 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: 0.0463
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes