Information card for entry 4066161

Structure parameters

• Formula: C50 H142 Cr2 K2 N10 Si10
• Calculated formula: C50 H142 Cr2 K2 N10 Si10
• SMILES: C([Cr](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.[K+].[K]123([N](CC[N]1(C)C)(C)C)([N](CC[N]2(C)C)(C)C)[N](CC[N]3(C)C)(C)C.C([Cr](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Structure of a Potassium Potassiochromate: A Bis-Chromium(II) Molecule Held Together by Near-Square-Planar Potassium−Ligand Bridges†
• Authors of publication: Carrella, Luca M.; Förster, Christoph; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Rentschler, Eva
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4756
• a: 23.2373 ± 0.0018 Å
• b: 17.7035 ± 0.0014 Å
• c: 21.5073 ± 0.0017 Å
• α: 90°
• β: 108.206 ± 0.009°
• γ: 90°
• Cell volume: 8404.8 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No