Information card for entry 7002955

Structure parameters

• Common name: bpsmpH
• Chemical name: 2,6-bis(N,N-bis-(2-pyridylmethyl)-sulfonamido)-4-methylphenol
• Formula: C31 H30 N6 O5 S2
• Calculated formula: C31 H30 N6 O5 S2
• Title of publication: Coordinative flexibility in an acyclic bis(sulfonamide) ligand
• Authors of publication: Veltzé, Sune; Egdal, Rune Kirk; Johansson, Frank B.; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10495 - 10504
• a: 8.8121 ± 0.0002 Å
• b: 9.9746 ± 0.0002 Å
• c: 33.1686 ± 0.0007 Å
• α: 90°
• β: 94.344 ± 0.001°
• γ: 90°
• Cell volume: 2907.05 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No