Information card for entry 4331532

Structure parameters

• Formula: C16 H22 F6 N O2 P V
• Calculated formula: C16 H22 F6 N O2 P V
• SMILES: [V]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)([cH]1[cH]5[cH]6[cH]7[cH]81)[NH2][C@H](C(=O)O9)[C@@H](C)CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Investigation of Vanadocene(IV) α-Amino Acid Complexes: Synthesis, Structure, and Behavior in Physiological Solutions, Human Plasma, and Blood
• Authors of publication: Vinklárek, Jaromír; Paláčková, Hana; Honzíček, Jan; Holubová, Jana; Holčapek, Michal; Císařová, Ivana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2156 - 2162
• a: 6.275 ± 0.0001 Å
• b: 15.88 ± 0.0004 Å
• c: 9.894 ± 0.0003 Å
• α: 90°
• β: 105.768 ± 0.0016°
• γ: 90°
• Cell volume: 948.81 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No