Information card for entry 4320408

Structure parameters

• Formula: C63 H53 Cl3 N4 P4 Re2
• Calculated formula: C63 H52 Cl3 N4 P4 Re2
• SMILES: [Re]12([Re](Cl)(Cl)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(N=C=C(C#N)C#N)C#[N]c1c(cccc1C)C
• Title of publication: Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units
• Authors of publication: Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5682 - 5690
• a: 22.795 ± 0.005 Å
• b: 15.442 ± 0.003 Å
• c: 18.095 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6369 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.2386
• Weighted residual factors for significantly intense reflections: 0.1806
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No