Information card for entry 7024510

Structure parameters

• Formula: C10 H22 Co2 N19 Na O2
• Calculated formula: C10 H22 Co2 N19 Na O2
• SMILES: CC1C[N](C)(C)[Co]23([N]=1O[Co]1([N]2=N#N)([N](=C(C)C[N]1(C)C)O3)(N=N#N)N=N#N)(N=N#N)N=N#N.[Na+]
• Title of publication: Combining oximes with azides to create a novel 1-D [NaCo(III)(2)] system: synthesis, structure and solid-state NMR.
• Authors of publication: Pathmalingam, Thushan; Habib, Fatemah; Widdifield, Cory M.; Loiseau, Francis; Burchell, Tara J.; Gorelsky, Serge I.; Beauchemin, André M; Bryce, David L.; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1504 - 1510
• a: 18.593 ± 0.004 Å
• b: 8.2748 ± 0.0018 Å
• c: 14.918 ± 0.003 Å
• α: 90°
• β: 93.348 ± 0.003°
• γ: 90°
• Cell volume: 2291.3 ± 0.8 ų
• Cell temperature: 201 ± 2 K
• Ambient diffraction temperature: 201 ± 2 K
• Number of distinct elements: 6
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No