Information card for entry 2228792

Structure parameters

• Chemical name: Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^<i>,O</i>^1'^)(nitrato- κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cerium(III)
• Formula: C38 H26 Ce N5 O11
• Calculated formula: C38 H26 Ce N5 O11
• SMILES: [Ce]12345([O]=C(O1)c1c(O)cccc1O)([O]=C(O2)c1c(O)cccc1O)(ON(=[O]3)=O)([n]1cccc2c1c1[n]4cccc1cc2)[n]1cccc2c1c1[n]5cccc1cc2
• Title of publication: Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^<i>,O</i>^1'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cerium(III)
• Authors of publication: Gu, Xiaojian; Wang, Chiya; Hong, Bo; Jin, Hongxiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m6 - m7
• a: 11.2937 ± 0.0002 Å
• b: 26.7878 ± 0.0003 Å
• c: 14.4056 ± 0.0004 Å
• α: 90°
• β: 128.062 ± 0.002°
• γ: 90°
• Cell volume: 3431.38 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes