Information card for entry 7061663

Structure parameters

• Formula: C68 H74 N6 Nb2 O13
• Calculated formula: C64 H68 N4 Nb2 O13
• Title of publication: Niobium and Tantalum complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2): synthesis, structure and ROP capability
• Authors of publication: Zhang, Xin; Prior, Timothy J.; Redshaw, Carl
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 14146 - 14154
• a: 54.0723 ± 0.0004 Å
• b: 10.74623 ± 0.0001 Å
• c: 22.47203 ± 0.00018 Å
• α: 90°
• β: 92.8757 ± 0.0007°
• γ: 90°
• Cell volume: 13041.5 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No