Information card for entry 2012252

Structure parameters

• Common name: bis(N-phenylacetamidino)ReCl~4~
• Chemical name: Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)
• Formula: C16 H20 Cl4 N4 Re
• Calculated formula: C16 H20 Cl4 N4 Re
• SMILES: [NH]([Re](Cl)([NH]=C(Nc1ccccc1)C)(Cl)(Cl)Cl)=C(Nc1ccccc1)C
• Title of publication: Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction
• Authors of publication: Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1151 - 1153
• a: 21.604 ± 0.004 Å
• b: 7.268 ± 0.001 Å
• c: 12.436 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.7 ± 0.5 ų
• Cell temperature: 11 ± 2 K
• Ambient diffraction temperature: 11 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes