Information card for entry 7013306

Structure parameters

• Formula: C59 H51 Cl6 N O4 P4 Re2
• Calculated formula: C59 H51 Cl6 N O4 P4 Re2
• SMILES: [Re]1234([Re](Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)c1[n]4c(ccc1)C(=O)O3)Cl.ClCCl.ClCCl
• 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: 19.4967 ± 0.0004 Å
• b: 15.3146 ± 0.0003 Å
• c: 19.7094 ± 0.0004 Å
• α: 90°
• β: 93.0862 ± 0.0008°
• γ: 90°
• Cell volume: 5876.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No