Information card for entry 7007892

Structure parameters

• Formula: C16 H14 Cl2 Co N4 O
• Calculated formula: C16 H14 Cl2 Co N4 O
• Title of publication: Synthesis and coordination chemistry of an alkyne functionalised bis(pyrazolyl)methane ligand.
• Authors of publication: Mohr, Fabian; Cerrada, Elena; Laguna, Mariano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5567 - 5573
• a: 8.2354 ± 0.0009 Å
• b: 9.3496 ± 0.0011 Å
• c: 11.5484 ± 0.0013 Å
• α: 95.643 ± 0.002°
• β: 97.344 ± 0.002°
• γ: 108.028 ± 0.002°
• Cell volume: 829.6 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No