Information card for entry 1519777

Structure parameters

• Formula: C28 H33 N3 Ni O5 P2 S4
• Calculated formula: C28 H33 N3 Ni O5 P2 S4
• Title of publication: C28H33N3Ni1O5P2S4
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 229
• a: 8.8804 ± 0.0002 Å
• b: 14.1275 ± 0.0004 Å
• c: 14.1255 ± 0.0003 Å
• α: 91.749 ± 0.002°
• β: 107.376 ± 0.002°
• γ: 107.382 ± 0.001°
• Cell volume: 1600.04 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No