Information card for entry 4314221

Structure parameters

• Formula: C85 H77 N3 O7 P4
• Calculated formula: C79 H65 N3 O5 P4
• SMILES: c1(cccc(n1)C(=O)[O-])C(=O)[O-].[P+](c1ccccc1)(c1ccccc1)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.O.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of the Dirhenium(II) Complex Re2Cl4(μ-dppm)2 with Pyridinecarboxylic Acids. Examples of Bidentate O,O versus N,O Coordination and Tridentate O,N,O Coordination and Structural Isomers That Contain the Pyridine-2,6-dicarboxylate Ligand
• Authors of publication: Swarup Chattopadhyay; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5924 - 5931
• a: 21.2803 ± 0.0005 Å
• b: 23.5958 ± 0.0004 Å
• c: 14.4185 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7239.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No