Information card for entry 7046696

Structure parameters

• Formula: C12 H12 Ni O5 Se2
• Calculated formula: C12 H12 Ni O5 Se2
• Title of publication: Synthesis of first row transition metal selenomaltol complexes.
• Authors of publication: Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9030 - 9037
• a: 8.2986 ± 0.0006 Å
• b: 24.7783 ± 0.0014 Å
• c: 6.9641 ± 0.0005 Å
• α: 90°
• β: 101.042 ± 0.003°
• γ: 90°
• Cell volume: 1405.48 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No