Information card for entry 4089455

Structure parameters

• Common name: Ph4Cp2ZrCl2
• Chemical name: bis tetraphenylCp Zirconocene
• Formula: C124 H99 Cl7 Zr2
• Calculated formula: C124 H99 Cl7 Zr2
• Title of publication: Simple Polyphenyl Zirconium and Hafnium Metallocene Room-Temperature Lumophores for Cell Imaging
• Authors of publication: Pritchard, Victoria E.; Thorp-Greenwood, Flora L.; Balasingham, Rebeca G.; Williams, Catrin F.; Kariuki, Benson M.; Platts, James A.; Hallett, Andrew J.; Coogan, Michael P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3566
• a: 22.398 Å
• b: 12.412 Å
• c: 38.241 Å
• α: 90°
• β: 106.45°
• γ: 90°
• Cell volume: 10196 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1839
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No