Information card for entry 2206857

Structure parameters

• Chemical name: Hexa-μ-α-methylacrylato-bis[(1,10-phenanthroline)lanthanum(III)] monohydrate
• Formula: C48 H50 La2 N4 O14
• Calculated formula: C48 H50 La2 N4 O14
• SMILES: c1ccc2c3[n]1[La]14567([n]8cccc(c38)cc2)([O]=C(O1)C(=C)C)[O]=C([O]7[La]123([O]5C(=[O]3)C(=C)C)([n]3cccc5ccc7ccc[n]1c7c35)([O]=C(O2)C(=C)C)([O]=C(C(=C)C)O6)OC(C(=C)C)=[O]4)C(=C)C.O.O
• Title of publication: Hexa-μ-α-methylacrylato-bis[(1,10-phenanthroline)lanthanum(III)] dihydrate
• Authors of publication: Yue Zhu; Wei-Min Lu; Meng Ma; Fang Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2044 - m2046
• a: 10.8815 ± 0.0004 Å
• b: 11.0081 ± 0.0005 Å
• c: 11.7412 ± 0.0007 Å
• α: 69.229 ± 0.002°
• β: 77.892 ± 0.004°
• γ: 68.091 ± 0.002°
• Cell volume: 1215.16 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No