Information card for entry 7005556

Structure parameters

• Formula: C42 H52 Cl Ho N4 O2
• Calculated formula: C42 H52 Cl Ho N4 O2
• SMILES: C12C=CC=CC=C1N1[C@H]([C@H](c3ccccc3)N3C4C(C=CC=CC4)=[N](C(C)C)[Ho]13([N]=2C(C)C)([O]1CCCC1)Cl)c1ccccc1.C1CCCO1
• Title of publication: Chiral bridged aminotroponiminate complexes of the lanthanides.
• Authors of publication: Meyer, Nils; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2652 - 2657
• a: 8.8136 ± 0.0011 Å
• b: 14.005 ± 0.002 Å
• c: 34.259 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4228.7 ± 1 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No