Information card for entry 7039272

Structure parameters

• Chemical name: 1_Gd
• Formula: C37 H50 Gd N3 O4
• Calculated formula: C37 H50 Gd N3 O4
• SMILES: [Gd]12345(Oc6c(C[N]73CC[N]4(CC[N]5(CC7)Cc3c(O2)c(cc(c3)C)C)Cc2c(O1)c(cc(c2)C)C)cc(cc6C)C)[O]1CCCC1
• Title of publication: A gadolinium(iii) complex that shows room-temperature phosphorescence in the crystalline state.
• Authors of publication: Nakai, Hidetaka; Kitagawa, Kazuhiro; Seo, Juncheol; Matsumoto, Takahiro; Ogo, Seiji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11620 - 11623
• a: 7.918 ± 0.0011 Å
• b: 14.3359 ± 0.0019 Å
• c: 16.3209 ± 0.0017 Å
• α: 68.639 ± 0.004°
• β: 76.902 ± 0.005°
• γ: 85.068 ± 0.005°
• Cell volume: 1680.4 ± 0.4 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 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: 0.031
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No