Information card for entry 7708634

Structure parameters

• Formula: C37 H39 Cl N O3 P2 Tc
• Calculated formula: C37 H39 Cl N O3 P2 Tc
• SMILES: [P]1(c2ccc(cc2)C)(c2ccc(cc2)C)N(C2CCCCC2)[P](c2ccc(cc2)C)(c2ccc(cc2)C)[Tc]1(C#[O])(C#[O])(C#[O])Cl
• Title of publication: New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)
• Authors of publication: Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.6184 ± 0.0003 Å
• b: 9.8959 ± 0.0004 Å
• c: 10.6919 ± 0.0004 Å
• α: 92.434 ± 0.003°
• β: 111.683 ± 0.003°
• γ: 104.288 ± 0.003°
• Cell volume: 906.27 ± 0.06 ų
• Cell temperature: 182.9 ± 0.6 K
• Ambient diffraction temperature: 182.9 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No