Information card for entry 7041470

Structure parameters

• Formula: C33 H26 N4 O
• Calculated formula: C33 H26 N4 O
• SMILES: c1(ccc(cc1)c1ccncc1)N(c1ccc(cc1)c1ccncc1)c1ccc(cc1)c1ccncc1.O
• Title of publication: {Fe3Nb25} cluster based on an Fe-centred Keggin unit.
• Authors of publication: Liang, Zhijie; Wang, Ke; Zhang, Dongdi; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1368 - 1371
• a: 10.4601 ± 0.001 Å
• b: 21.902 ± 0.002 Å
• c: 11.8257 ± 0.0012 Å
• α: 90°
• β: 105.644 ± 0.001°
• γ: 90°
• Cell volume: 2608.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No