Information card for entry 7045834

Structure parameters

• Chemical name: Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)zirconium}
• Formula: C44 H44 Fe2 O Se4 Zr2
• Calculated formula: C44 H44 Fe2 O Se4 Zr2
• Title of publication: Macrocycles containing 1,1'-ferrocenyldiselenolato ligands on group 4 metallocenes.
• Authors of publication: Sanchez-Perez, Clara; Knapp, Caroline E.; Karjalainen, Minna M.; Oilunkaniemi, Raija; Carmalt, Claire J.; Laitinen, Risto S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5415 - 5421
• a: 11.542 ± 0.002 Å
• b: 14.304 ± 0.003 Å
• c: 14.484 ± 0.003 Å
• α: 99.53 ± 0.03°
• β: 109.08 ± 0.03°
• γ: 108.16 ± 0.03°
• Cell volume: 2049.9 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No