Information card for entry 4313149

Structure parameters

• Formula: C21 H23 N2 O5 P Re S
• Calculated formula: C21 H22 N2 O5 P Re S
• SMILES: [Re]123(SCC(N3C(=O)CN2C(=O)CC[P]1(c1ccccc1)c1ccccc1)C(=O)OC)=O
• Title of publication: Synthesis and Characterization of Rhenium(V) Oxo Complexes with N-[N-(3-Diphenylphosphinopropionyl)glycyl]cysteine Methyl Ester. X-ray Crystal Structure of {ReO[Ph2P(CH2)2C(O)-Gly-Cys-OMe(P,N,N,S)]}
• Authors of publication: Roberta Visentin; Raffaella Rossin; Maria Cecilia Giron; Alessandro Dolmella; Giuliano Bandoli; Ulderico Mazzi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 950 - 959
• a: 9.828 ± 0.002 Å
• b: 11.163 ± 0.002 Å
• c: 11.641 ± 0.002 Å
• α: 106.48 ± 0.03°
• β: 109.06 ± 0.03°
• γ: 102.81 ± 0.03°
• Cell volume: 1085.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No