Information card for entry 7020879

Structure parameters

• Formula: C88 H19 N O7 P Re2
• Calculated formula: C88 H19 N O7 P Re2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])[N]2(C(c3c(cccc3)[P]1(c1c(cccc1)[Re](C#[O])(C#[O])(C#[O])C#[O])c1ccccc1)C13C4(C2)c2c5c6c3c3c7c1c1c8c4c4c2c2c9c5c5c6c6c3c3c%10c7c7c1c1c8c8c4c4c2c2c9c9c5c5c6c3c3c6c%10c7c7c1c1c8c4c4c2c2c8c4c1c7c6c8c3c5c92)C
• Title of publication: Re-Re bond breaking of (μ-H)(3)Re(3)(CO)(11)(NCMe) upon reaction with PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) to generates monorhenium and dirhenium phosphino-fullerene complexes.
• Authors of publication: Chen, Chia-Hsiang; Yeh, Wen-Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2488 - 2494
• a: 32.402 ± 0.003 Å
• b: 18.559 ± 0.002 Å
• c: 22.676 ± 0.003 Å
• α: 90°
• β: 103.232 ± 0.008°
• γ: 90°
• Cell volume: 13274 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.2002
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No