Information card for entry 4306428

Structure parameters

• Formula: C119 H88 Cl2 N16 O P8 Sm4
• Calculated formula: C119 H88 Cl2 N16 O P8 Sm4
• SMILES: [Sm]123456(N7[N](=C(P=C7c7ccccc7)c7ccccc7)[Sm]789([N]%10=C(c%11ccccc%11)P=C(c%11ccccc%11)[N]%10[Sm]%10%11%12([O]17[Sm]17%13([Cl]8)([N]8%10[N]%111=C(P=C8c1ccccc1)c1ccccc1)(N1[N]7=C(P=C1c1ccccc1)c1ccccc1)[N]1[N]2%13=C(P=C1c1ccccc1)c1ccccc1)([Cl]3)N1[N]%12=C(P=C1c1ccccc1)c1ccccc1)[N]16[N]49=C(P=C1c1ccccc1)c1ccccc1)N1[N]5=C(P=C1c1ccccc1)c1ccccc1.Cc1ccccc1
• Title of publication: 1,2,4-Diazaphospholide Complexes of Samarium(III)
• Authors of publication: Chengfu Pi; Li Wan; Yingying Gu; Wenjun Zheng; Linhong Weng; Zhenxia Chen; Limin Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9739 - 9741
• a: 18.507 ± 0.006 Å
• b: 18.545 ± 0.006 Å
• c: 18.694 ± 0.006 Å
• α: 72.234 ± 0.004°
• β: 73.471 ± 0.004°
• γ: 67.294 ± 0.004°
• Cell volume: 5534 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No