Information card for entry 4064686

Structure parameters

• Formula: C71 H70 N4 O10 Re2
• Calculated formula: C71 H70 N4 O10 Re2
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[n]3c4ccccc4n(c3CCCCCCCCC)Cc3ccc(cc3)Cn3c4ccccc4[n](c3CCCCCCCCC)[Re]3(C#[O])(C#[O])(C#[O])Oc4c5c(c(c6c(c7c(c(c46)O3)cccc7)O1)O2)cccc5.Cc1ccccc1
• Title of publication: Adaptation toward Restricted Conformational Dynamics: From the Series of Neutral Molecular Rotors
• Authors of publication: Rajakannu, Palanisamy; Shankar, Bhaskaran; Yadav, Anju; Shanmugam, Ramasamy; Gupta, Deepak; Hussain, Firasat; Chang, Che-Hao; Sathiyendiran, Malaichamy; Lu, Kuang-Lieh
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3168
• a: 16.7355 ± 0.0008 Å
• b: 19.0723 ± 0.0011 Å
• c: 26.3039 ± 0.0008 Å
• α: 90°
• β: 129.512 ± 0.002°
• γ: 90°
• Cell volume: 6477.3 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No