Information card for entry 7216140

Structure parameters

• Common name: IDipp-C60, (CNPT)2
• Chemical name: 1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, chloronaphthalene (two molecules) solvate
• Formula: C107 H50 Cl2 N2
• Calculated formula: C107 H50 Cl2 N2
• Title of publication: A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.
• Authors of publication: Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 12980 - 12986
• a: 12.6739 ± 0.0015 Å
• b: 14.0712 ± 0.0016 Å
• c: 19.438 ± 0.002 Å
• α: 102.258 ± 0.003°
• β: 97.661 ± 0.003°
• γ: 104.351 ± 0.003°
• Cell volume: 3217.9 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2005
• Residual factor for significantly intense reflections: 0.149
• Weighted residual factors for significantly intense reflections: 0.4171
• Weighted residual factors for all reflections included in the refinement: 0.4644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No