Information card for entry 4337143

Structure parameters

• Formula: C65 H48 N8 O8 Re2
• Calculated formula: C65 H48 N8 O8 Re2
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[n]3c(c4c(cccc4)O2)n(c2c3cccc2)Cc2c(c(c(cc2C)C)Cn2c3ccccc3[n]3c2c2ccccc2O[Re]3(C#[O])(C#[O])(C#[O])[n]2cn(c3c2cccc3)Cc2cccc(c2)Cn2c3ccccc3[n]1c2)C
• 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: 12.302 ± 0.005 Å
• b: 15.165 ± 0.005 Å
• c: 18.904 ± 0.005 Å
• α: 83.977 ± 0.005°
• β: 74.106 ± 0.005°
• γ: 69.732 ± 0.005°
• Cell volume: 3181.7 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No