Information card for entry 7127739

Structure parameters

• Formula: C85 H116 N6 Ni2 P8 Si2
• Calculated formula: C85 H116 N6 Ni2 P8 Si2
• Title of publication: An unusual Ni₂Si₂P₈ cluster formed by complexation and thermolysis.
• Authors of publication: Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 90
• Pages of publication: 14071 - 14074
• a: 23.3638 ± 0.0005 Å
• b: 16.0951 ± 0.0003 Å
• c: 27.7549 ± 0.0006 Å
• α: 90°
• β: 107.229 ± 0.002°
• γ: 90°
• Cell volume: 9968.7 ± 0.4 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No