Information card for entry 7104019

Structure parameters

• Common name: 3,3',5,5'-tetramethyl-4,4'-bipyrazole Chloroform solvate
• Chemical name: 3,3',5,5'-tetramethyl-4,4'-bipyrazole Chloroform solvate
• Formula: C11 H15 Cl3 N4
• Calculated formula: C11 H12 Cl3 N4
• Title of publication: Construction of extended networks with a trimeric pyrazole synthon
• Authors of publication: Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Blaurock, Steffen; Domasevitch, Konstantin V.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 740 - 741
• a: 29.196 ± 0.002 Å
• b: 29.196 ± 0.002 Å
• c: 22.406 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19099.1 ± 2.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.3327
• Residual factor for significantly intense reflections: 0.127
• Weighted residual factors for all reflections: 0.4376
• Weighted residual factors for significantly intense reflections: 0.2836
• Goodness-of-fit parameter for all reflections: 0.844
• Goodness-of-fit parameter for significantly intense reflections: 1.553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No