Information card for entry 2205018

Structure parameters

• Chemical name: Tetrakis(μ-N-acetyl-N-phenylglycinato-κ^2^O,O')bis[(N-acetyl-N- phenylglycinato-κ^3^O,O,O)(1,10-phenanthroline-κ^2^N,N')cerium(III)] dihydrate
• Formula: C84 H80 Ce2 N10 O20
• Calculated formula: C84 H80 Ce2 N10 O20
• SMILES: N(CC1=[O][Ce]23456([n]7cccc8c7c7c(cc8)ccc[n]27)([O](C(=[O]4)CN(C(=O)C)c2ccccc2)[Ce]247([n]8cccc9c8c8[n]2cccc8cc9)([O]3C(=[O]4)CN(C(=O)C)c2ccccc2)([O]=C(O7)CN(C(=O)C)c2ccccc2)([O]=C(O6)CN(C(=O)C)c2ccccc2)OC(=[O]5)CN(C(=O)C)c2ccccc2)O1)(C(=O)C)c1ccccc1.O.O
• Title of publication: Tetrakis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O,O</i>')bis[(<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^3^<i>O,O,O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cerium(III)] dihydrate
• Authors of publication: Fu, Ai-Yun; Fu, Shi-Zhou; Yu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m223 - m225
• a: 11.75 ± 0.006 Å
• b: 13.512 ± 0.007 Å
• c: 14.068 ± 0.007 Å
• α: 65.43 ± 0.006°
• β: 86.264 ± 0.007°
• γ: 81.663 ± 0.007°
• Cell volume: 2009.8 ± 1.8 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes