Information card for entry 1519783

Structure parameters

• Formula: C14 H20 Co N2 O4 P2 S4
• Calculated formula: C14 H20 Co N2 O4 P2 S4
• SMILES: COP1(OC)=[S][Co]2([n]3ccc(cc3)c3ccncc3)(S1)([S]=P(OC)(OC)S2)[n]1ccc(c2cc[n](cc2)[Co]23([S]=P(OC)(OC)S2)[S]=P(OC)(OC)S3)cc1
• Title of publication: C14H20Co1N2O4P2S4
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 237
• a: 11.3361 ± 0.0002 Å
• b: 11.3717 ± 0.0003 Å
• c: 8.3386 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.93 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No