Information card for entry 8102589

Structure parameters

• Chemical name: tri(2-Selenopyridine-N-oxide)- cobalt(III), [Co(C~5~H~4~NOSe)~3~]
• Formula: C15 H12 Co N3 O3 Se3
• Calculated formula: C15 H12 Co N3 O3 Se3
• SMILES: [Se]1[Co]23([Se]c4n(=[O]2)cccc4)([Se]c2n(=[O]3)cccc2)[O]=n2c1cccc2
• Title of publication: Crystal structure of tri(2-selenopyridine-N-oxide)cobalt(III), Co(C5H4NOSe)3
• Authors of publication: De-Zhong Niu; De-Liang Ma; Feng Gao; Zai-Sheng Lu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 63
• a: 8.7898 ± 0.0014 Å
• b: 13.4173 ± 0.0017 Å
• c: 14.998 ± 0.002 Å
• α: 90°
• β: 94.142 ± 0.001°
• γ: 90°
• Cell volume: 1764.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No