Information card for entry 7216491

Structure parameters

• Chemical name: 1-Iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro- 1'H-imidazole-1'-oxyl)benzene - co - dichloromethane
• Formula: C21 H29.72 Cl2 I N4 O2.36
• Calculated formula: C21 H29 Cl2 I N4 O2.36
• Title of publication: Organizing a bis(iminoylnitroxide) diradical into antiferromagnetically coupled chains by co-crystallization with dichloromethane
• Authors of publication: Akpinar, Handan; Schlueter, John A.; Lahti, Paul M.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5832
• a: 13.745 ± 0.0008 Å
• b: 24.8293 ± 0.0014 Å
• c: 7.2076 ± 0.0004 Å
• α: 90°
• β: 95.191 ± 0.001°
• γ: 90°
• Cell volume: 2449.7 ± 0.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.3936 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No