Information card for entry 7006502

Structure parameters

• Formula: C32 H52 B10 N4 O5
• Calculated formula: C32 H52 B10 N4 O5
• Title of publication: Synthesis, crystal structure and magnetic properties of o-carboranyl nitronyl nitroxide biradical: a prototype of a three-dimensional analogue of o-benzoquinodimethane.
• Authors of publication: Iwahori, Fumiyasu; Nishikawa, Yoshikazu; Mori, Ken-ichiro; Yamashita, Masahiro; Abe, Jiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 3
• Pages of publication: 473 - 477
• a: 13.198 ± 0.004 Å
• b: 21.76 ± 0.005 Å
• c: 13.41 ± 0.004 Å
• α: 90°
• β: 102.438 ± 0.004°
• γ: 90°
• Cell volume: 3760.8 ± 1.8 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No