Information card for entry 7013309

Structure parameters

• Formula: C62 H50 N2 O7 P4 Re2
• Calculated formula: C62 H50 N2 O7 P4 Re2
• SMILES: [Re]12345[Re]6([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1[n]5c(ccc1)C(=O)O4)OC(=O)c1[n]6c(O3)ccc1.O
• Title of publication: Reactions of the triply-bonded complex cis-Re2(�-O2CCH3)2Cl2(�-dppm)2 with pyridine carboxylic acids. The isolation and structural characterization of a third structural isomer of Re2(dipic)Cl2(�-dppm)2 (dipic = pyridine-2,6-dicarboxylate)
• Authors of publication: Chattopadhyay, Swarup; Fanwick, Phillip E.; Walton, Richard A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3617
• a: 12.1609 ± 0.0002 Å
• b: 21.3705 ± 0.0004 Å
• c: 23.445 ± 0.0005 Å
• α: 90°
• β: 104.816 ± 0.001°
• γ: 90°
• Cell volume: 5890.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No