Information card for entry 7020878

Structure parameters

• Formula: C85 H21 N O3 P Re S2
• Calculated formula: C85 H21 N O3 P Re S2
• SMILES: C(#[O])[ReH]12(C#[O])(C#[O])C34C56C(c7c(cccc7)[P]2(c2ccccc2)c2ccccc2)N(C)CC25c5c7C13c1c3c8c4c4c6c6c9c2c2c5c5c%10c7c1c1c7c3c3c8c8c4c4c6c6c9c9c2c2c5c5c%10c1c1c7c7c3c3c8c4c4c6c6c9c2c2c5c1c1c2c6c4c3c71.C(=S)=S
• 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: 10.1313 ± 0.0005 Å
• b: 16.7505 ± 0.001 Å
• c: 17.0644 ± 0.0008 Å
• α: 116.909 ± 0.003°
• β: 100.253 ± 0.002°
• γ: 90.025 ± 0.003°
• Cell volume: 2530.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No