Information card for entry 4313945

Structure parameters

• Formula: C162 H108 N8 O32 Re8
• Calculated formula: C162 H108 N8 O32 Re8
• SMILES: C(#[O])[Re]12(C#[O])([n]3ccc(cc3)C#Cc3cc4c5cc3C#Cc3cc[n](cc3)[Re]3(C#[O])(C#[O])(C#[O])[O](Cc6ccccc6)[Re](C#[O])(C#[O])(C#[O])([n]6ccc(C#Cc7cc(C#Cc8cc[n](cc8)[Re]8(C#[O])(C#[O])(C#[O])[O](Cc9ccccc9)[Re](C#[O])(C#[O])(C#[O])([n]9ccc(C#C5)cc9)[O]8Cc5ccccc5)c(cc7C#Cc5cc[n](cc5)[Re](C#[O])(C#[O])(C#[O])([O]1Cc1ccccc1)[O]2Cc1ccccc1)C#Cc1cc[n](cc1)[Re]1(C#[O])(C#[O])(C#[O])[O](Cc2ccccc2)[Re](C#[O])(C#[O])(C#[O])([n]2ccc(C#C4)cc2)[O]1Cc1ccccc1)cc6)[O]3Cc1ccccc1)C#[O].Cc1ccccc1.Cc1ccccc1
• Title of publication: Self-Assembly of Octarhenium-Based Neutral Luminescent Rectangular Prisms
• Authors of publication: Bala. Manimaran; P. Thanasekaran; T. Rajendran; Rong-Tang Liao; Yen-Hsiang Liu; Gene-Hsiang Lee; Shie-Ming Peng; S. Rajagopal; Kuang-Lieh Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4795 - 4797
• a: 14.4754 ± 0.0006 Å
• b: 15.856 ± 0.0007 Å
• c: 19.0493 ± 0.0008 Å
• α: 89.979 ± 0.001°
• β: 68.328 ± 0.001°
• γ: 64.207 ± 0.001°
• Cell volume: 3590.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0959
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No