Information card for entry 7001763

Structure parameters

• Formula: C19 H21 B K N3 O S3
• Calculated formula: C19 H21 B K N3 O S3
• Title of publication: A new family of flexible scorpionate ligands based on 2-mercaptopyridine
• Authors of publication: Dyson, Gavin; Hamilton, Alex; Mitchell, Byron; Owen, Gareth R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6120
• a: 7.5891 ± 0.0003 Å
• b: 10.2493 ± 0.0004 Å
• c: 14.4333 ± 0.0006 Å
• α: 96.181 ± 0.002°
• β: 94.557 ± 0.002°
• γ: 105.418 ± 0.002°
• Cell volume: 1069.11 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No