Information card for entry 8101866

Structure parameters

• Chemical name: meso-5,5,7,12,12,14-hexamethyl-4,11-diaza- 1,8-diazoniacyclotetradecane bis(dicyanoargentate) dihydrate
• Formula: C20 H42 Ag2 N8 O2
• Calculated formula: C20 H42 Ag2 N8 O2
• SMILES: [Ag](C#N)C#N.[Ag](C#N)C#N.O.O.[NH2+]1C(C)(C)C[C@@H](NCC[NH2+]C(C)(C)C[C@H](NCC1)C)C
• Title of publication: Crystal structure of meso-5,5,7,12,12,14-hexamethyl-4,11-diaza-1,8- diazoniacyclotetradecane bis(dicyano-argentate) dihydrate, (C~16~H~38~N~4~) [Ag(CN)~2~]~2~ · 2H~2~O
• Authors of publication: Ding, J.-G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 571 - 572
• a: 12.061 ± 0.003 Å
• b: 7.704 ± 0.0017 Å
• c: 14.734 ± 0.004 Å
• α: 90°
• β: 90.022 ± 0.006°
• γ: 90°
• Cell volume: 1369.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No