Information card for entry 4086541

Structure parameters

• Formula: C10 H9 Co F6 N3 P
• Calculated formula: C10 H9 Co F6 N3 P
• SMILES: [Co]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81N=N#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)
• Authors of publication: Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2101
• a: 6.3656 ± 0.0002 Å
• b: 8.237 ± 0.0003 Å
• c: 12.7564 ± 0.0004 Å
• α: 105.592 ± 0.001°
• β: 98.174 ± 0.001°
• γ: 93.475 ± 0.001°
• Cell volume: 634.27 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No