Information card for entry 2219688

Structure parameters

• Chemical name: 6-[4,6-bis(diphenylphosphino)-10<i>H</i>-phenoxazin-10-yl]hexan-1-ol
• Formula: C42 H39 N O2 P2
• Calculated formula: C42 H39 N O2 P2
• SMILES: OCCCCCCN1c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Title of publication: A <i>P</i>,<i>O</i>,<i>P</i>'-tridentate mixed-donor scorpionate ligand: 6-[4,6-bis(diphenylphosphino)-10<i>H</i>-phenoxazin-10-yl]hexan-1-ol
• Authors of publication: Marimuthu, Thashree; Bala, Muhammad D.; Friedrich, Holger B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1984 - o1985
• a: 10.4258 ± 0.0002 Å
• b: 11.1402 ± 0.0003 Å
• c: 15.359 ± 0.0004 Å
• α: 75.777 ± 0.001°
• β: 88.583 ± 0.001°
• γ: 79.453 ± 0.002°
• Cell volume: 1699.6 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes