Information card for entry 2204177

Structure parameters

• Chemical name: Tetrakis(μ-N-acetyl-N-phenylglycinato)bis[(N-acetyl-N-phenylglycinato)(1,10- phenanthroline-κ^2^N,N')lanthanum(III)] dihydrate
• Formula: C84 H80 La2 N10 O20
• Calculated formula: C84 H80 La2 N10 O20
• SMILES: N(CC1=[O][La]23456([n]7c8c9c(ccc8ccc7)ccc[n]39)([O](C(CN(C(=O)C)c3ccccc3)=[O]5)[La]357([n]8cccc9c8c8[n]7cccc8cc9)([O]4C(CN(C(=O)C)c4ccccc4)=[O]3)([O]=C(O2)CN(C(=O)C)c2ccccc2)(OC(=[O]6)CN(C(=O)C)c2ccccc2)[O]=C(O5)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)bis[(<i>N</i>-acetyl-<i>N</i>-phenylglycinato)(1,10-phenanthroline-κ^2^<i>N,N</i>')lanthanum(III)] dihydrate
• Authors of publication: Fu, Ai-Yun; Wang, Da-Qi; Shen, Qing-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1346 - m1348
• a: 11.777 ± 0.003 Å
• b: 13.574 ± 0.003 Å
• c: 14.114 ± 0.003 Å
• α: 65.372 ± 0.002°
• β: 86.194 ± 0.003°
• γ: 81.6 ± 0.003°
• Cell volume: 2029 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes