Information card for entry 7045833

Structure parameters

• Chemical name: Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)titanium}
• Formula: C57 H52.5 Fe2 Se4 Ti2
• Calculated formula: C57 H52.5 Fe2 Se4 Ti2
• 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: 11.413 ± 0.002 Å
• b: 14.514 ± 0.003 Å
• c: 15.645 ± 0.003 Å
• α: 96.9 ± 0.03°
• β: 101.22 ± 0.03°
• γ: 90.15 ± 0.03°
• Cell volume: 2522.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No