Information card for entry 7215656

Structure parameters

• Formula: C12 H41 Co Ge2 N9 S6
• Calculated formula: C12 H41 Co Ge2 N9 S6
• SMILES: [Ge]1([S-])([S-])S[Ge](S1)([S-])[S-].[Co]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[NH3+]CC[NH2+]CCN
• Title of publication: Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks
• Authors of publication: Lichte, Jessica; Näther, Christian; Bensch, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 5551
• a: 15.211 ± 0.0003 Å
• b: 16.7025 ± 0.0004 Å
• c: 21.8821 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5559.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No