Information card for entry 4001673

Structure parameters

• Common name: 3pmntb
• Formula: C42 H42 N10 O3
• Calculated formula: C42 H42 N10 O3
• SMILES: N(Cc1nc2ccccc2n1Cc1cnccc1)(Cc1nc2ccccc2n1Cc1cccnc1)Cc1nc2ccccc2n1Cc1cnccc1.O.O.O
• Title of publication: Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor
• Authors of publication: Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 1954
• a: 10.8124 ± 0.0005 Å
• b: 11.2603 ± 0.0004 Å
• c: 17.2799 ± 0.0007 Å
• α: 100.994 ± 0.003°
• β: 95.756 ± 0.004°
• γ: 116.213 ± 0.004°
• Cell volume: 1811.71 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No