Information card for entry 1512902

Structure parameters

• Common name: (3) Hf4(O)(cat)6(cat-H)2(py)4
• Formula: C68 H52 Hf4 N4 O17
• Calculated formula: C68 H52 Hf4 N4 O17
• SMILES: [Hf]123456([O]78[Hf]9%10%11([O]1c1ccccc1O2)([O]5c1ccccc1O9)(Oc1ccccc1[O]%10[Hf]1258([O]8[Hf]97([O]4c4c(O3)cccc4)([O]%11c3ccccc3O9)(Oc3ccccc83)([O]1c1ccccc1O2)[n]1ccccc1)(Oc1ccccc1[O]65)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1
• Title of publication: Catechol derivatives of Group 4 and 5 compounds
• Authors of publication: Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland
• Journal of publication: Polyhedron
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 1143 - 1152
• a: 22.96 ± 0.008 Å
• b: 15.372 ± 0.005 Å
• c: 27.916 ± 0.01 Å
• α: 90°
• β: 100.058 ± 0.006°
• γ: 90°
• Cell volume: 9701 ± 6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2854
• Weighted residual factors for all reflections included in the refinement: 0.3038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No