Information card for entry 4337142

Structure parameters

• Formula: C56 H40 N8 O8 Re2
• Calculated formula: C62 H42 N8 O8 Re2
• SMILES: C(#[O])[Re]12(C#[O])([n]3c(c4c(cccc4)O2)n(c2c3cccc2)Cc2ccc(Cn3c4c5c(cccc5)O[Re](C#[O])(C#[O])(C#[O])([n]4c4ccccc34)[n]3c4ccccc4n(c3)Cc3ccc(Cn4c5c([n]1c4)cccc5)cc3)cc2)C#[O]
• Title of publication: Luminescent dirhenium(i)-double-heterostranded helicate and mesocate.
• Authors of publication: Shankar, Bhaskaran; Sahu, Saugata; Deibel, Naina; Schweinfurth, David; Sarkar, Biprajit; Elumalai, Palani; Gupta, Deepak; Hussain, Firasat; Krishnamoorthy, Govindarajan; Sathiyendiran, Malaichamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 922 - 930
• a: 26.835 ± 0.005 Å
• b: 13.736 ± 0.005 Å
• c: 21.431 ± 0.005 Å
• α: 90 ± 0.005°
• β: 126.545 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6346 ± 3 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No