Information card for entry 7025994

Structure parameters

• Formula: C34 H28 F3 N4 O6 Re S3
• Calculated formula: C34 H28 F3 N4 O6 Re S3
• SMILES: Cc1ccc2c3c4c(cc2)ccc(C)[n]4[Re](C#[O])(C#[O])(C#[O])([n]13)[n]1ccc(cc1)CN(Cc1cccs1)Cc1cccs1.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: The development of responsive, luminescent lifetime probes based upon axially functionalised fac-[Re(CO)3(di-imine)(L)]+ complexes.
• Authors of publication: Mullice, Lucy A.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5908 - 5917
• a: 14.611 ± 0.0004 Å
• b: 13.618 ± 0.0004 Å
• c: 18.02 ± 0.0005 Å
• α: 90°
• β: 103.6 ± 0.001°
• γ: 90°
• Cell volume: 3484.95 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No