Information card for entry 7029590

Structure parameters

• Formula: C19 H28 N5 Ni0.5 O2 S2 Si
• Calculated formula: C16 H25 N5 Ni0.5 O2 S2 Si
• Title of publication: Biomimetic polyorganosiloxanes: model compounds for new materials.
• Authors of publication: Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7734 - 7746
• a: 8.35 ± 0.0004 Å
• b: 11.016 ± 0.0006 Å
• c: 14.667 ± 0.0008 Å
• α: 103.051 ± 0.003°
• β: 94.631 ± 0.003°
• γ: 107.523 ± 0.002°
• Cell volume: 1237.12 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No