Information card for entry 7026258

Structure parameters

• Chemical name: Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate
• Formula: C30 H22 B2 Co F8 N6
• Calculated formula: C30 H22 B2 Co F8 N6
• SMILES: [Co]1234([n]5c(cccc5c5[n]2cccc5)c2[n]1cccc2)[n]1c(cccc1c1[n]4cccc1)c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.
• Authors of publication: Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9008 - 9012
• a: 12.6088 ± 0.0011 Å
• b: 12.3489 ± 0.0011 Å
• c: 18.9484 ± 0.0018 Å
• α: 90°
• β: 97.937 ± 0.004°
• γ: 90°
• Cell volume: 2922.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No