Information card for entry 7718095

Structure parameters

• Formula: C28 H20 N16 Zr
• Calculated formula: C28 H20 N16 Zr
• Title of publication: Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.
• Authors of publication: Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5075 - 5090
• a: 17.0121 ± 0.0015 Å
• b: 9.9553 ± 0.0009 Å
• c: 17.1639 ± 0.0015 Å
• α: 90°
• β: 99.871 ± 0.003°
• γ: 90°
• Cell volume: 2863.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No