Information card for entry 1544272

Structure parameters

• Formula: C11 H20 Co N11 O3 S
• Calculated formula: C11 H20 Co N11 O3 S
• SMILES: [Co]12(N=N#N)(N=N#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.c12S(=O)([O-])=NC(=O)c1cccc2
• Title of publication: Cationic Cobaltammines as Anion Receptors: Synthesis, Spectroscopic and X-ray Structural Study of Biologically Important Saccharinate Salt, [cis-Co(en)~2~(N~3~)~2~](C~7~H~4~NSO~3~)
• Authors of publication: Rajni Sharma; Raj Pal Sharma; Konstantin Karaghiosoff; Thomas M. Klapoetke; Miguel Quirós; Juan M. Salas
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2009
• Journal volume: 930
• Pages of publication: 88 - 94
• a: 7.3164 ± 0.0005 Å
• b: 11.4668 ± 0.0008 Å
• c: 11.9873 ± 0.0008 Å
• α: 110.369 ± 0.001°
• β: 100.918 ± 0.001°
• γ: 97.158 ± 0.001°
• Cell volume: 905.69 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes