Information card for entry 7026935

Structure parameters

• Common name: Chisholm 1708
• Formula: C72 H68 Cl2 N2 O10 P4 Re2
• Calculated formula: C72 H68 Cl2 N2 O10 P4 Re2
• SMILES: C1(=[O][Re]234(Cl)OC(c5ccc(N(=O)=O)cc5)=[O][Re]4(O1)(Cl)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(N(=O)=O)cc1.O1CCCC1.O1CCCC1
• Title of publication: Concerning the photophysical properties of Re2(4+) and Re2(6+) carboxylate compounds.
• Authors of publication: Alberding, Brian G.; Chisholm, Malcolm H.; Gallucci, Judith C.; Gustafson, Terry L.; Reed, Carly R.; Turro, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11587 - 11593
• a: 31.062 ± 0.007 Å
• b: 10.454 ± 0.003 Å
• c: 24.183 ± 0.006 Å
• α: 90°
• β: 124.225 ± 0.003°
• γ: 90°
• Cell volume: 6493 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.104
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No