Information card for entry 7028579

Structure parameters

• Formula: C41 H34 Cl4 Co3 N12
• Calculated formula: C41 H34 Cl4 Co3 N12
• Title of publication: A structural study of a three-membered linear metal chain compound at elevated pressure.
• Authors of publication: Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1313 - 1320
• a: 13.5953 ± 0.0004 Å
• b: 12.6243 ± 0.001 Å
• c: 10.6351 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1825.3 ± 0.2 ų
• Cell temperature: 292.1 ± 0.5 K
• Ambient diffraction temperature: 292.1 ± 0.5 K
• Cell measurement pressure: 1330000 ± 30000 kPa
• Ambient diffracton pressure: 1330000 ± 30000 kPa
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No