Information card for entry 7037289

Structure parameters

• Formula: C22 H20 F6 N5 O2 P V
• Calculated formula: C22 H20 F6 N5 O2 P V
• SMILES: c1cccc2c3cccc[n]3[V]34([n]12)([N](CCc1c[nH]c[n]31)=Cc1c(cccc1)O4)=O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Endoplasmic reticulum targeting tumour selective photocytotoxic oxovanadium(iv) complexes having vitamin-B6 and acridinyl moieties.
• Authors of publication: Banerjee, Samya; Dixit, Akanksha; Karande, Anjali A.; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 783 - 796
• a: 11.4384 ± 0.001 Å
• b: 13.653 ± 0.0012 Å
• c: 15.6328 ± 0.0013 Å
• α: 90°
• β: 100.74 ± 0.003°
• γ: 90°
• Cell volume: 2398.6 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No