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Information card for entry 4313149
Preview
Coordinates | 4313149.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H23 N2 O5 P Re S |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313149.html
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