Information card for entry 8107571

Structure parameters

• Chemical name: (N-([1,1':4',1''-terphenyl]-4,4'-diethyl)-2-(bis(pyridin-2-ylmethyl)amino) acetamide-k4N,N',N'',O)tri(nitrato-kO,O')-Samarium(III) mono acetonitrile"
• Formula: C41 H43 N8 O15 Sm
• Calculated formula: C40 H39 N8 O14 Sm
• SMILES: CCOC(=O)c1ccc(cc1)c1ccc(c(c1)NC1C[N]23Cc4cccc[n]4[Sm]4563([n]3c(C2)cccc3)([O]=1)(ON(=O)=[O]4)(ON(=O)=[O]5)ON(=O)=[O]6)c1ccc(cc1)C(=O)OCC.C(#N)C
• Title of publication: The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ 4 N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14
• Authors of publication: Wang, Hai-Ping; Zhang, Ci-Mao; Huang, Guo-Peng; Liang, Jia-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 813 - 815
• a: 8.2799 ± 0.0001 Å
• b: 16.6666 ± 0.0005 Å
• c: 17.1471 ± 0.0003 Å
• α: 73.549 ± 0.002°
• β: 89.123 ± 0.001°
• γ: 83.045 ± 0.002°
• Cell volume: 2252.25 ± 0.09 ų
• Cell temperature: 297.71 ± 0.13 K
• Ambient diffraction temperature: 297.71 ± 0.13 K
• Ambient diffracton pressure: 101 kPa
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No