Information card for entry 2228902

Structure parameters

• Chemical name: poly[bis(trimethylammonium) [hexa-μ~1,1~-azido-tetraazidotricobaltate(II,III)]]
• Formula: C6 H20 Co3 N32
• Calculated formula: C6 H20 Co3 N32
• SMILES: [Co]12(N=N#N)(N=N#N)[N](=N#N)[Co]3([N](=N#N)[Co]45(N=N#N)(N=N#N)[N](=N#N)[Co](N=N#N)(N=N#N)[N](=N#N)[Co](N=N#N)(N=N#N)([N]3=N#N)([N]5=N#N)[N]4=N#N)[N](=N#N)[Co](N=N#N)(N=N#N)([N]2=N#N)[N]1=N#N.[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C.[NH+](C)(C)C
• Title of publication: The azide-bridged mixed-valent cobalt(II,III) compound [(CH~3~)~3~NH]~2~[Co^II^Co~2~^III^(N~3~)~10~]
• Authors of publication: Liu, Yan-Ju; Li, Yu-Xian; Xu, Min; Wang, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m27
• a: 21.72 ± 0.0006 Å
• b: 11.3812 ± 0.0004 Å
• c: 12.1628 ± 0.0004 Å
• α: 90°
• β: 115.524 ± 0.002°
• γ: 90°
• Cell volume: 2713.21 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes