Information card for entry 4307469

Structure parameters

• Formula: C27 H46 B Cu N7 O2
• Calculated formula: C27 H46 B Cu N7 O2
• SMILES: [Cu]123([O]=NO1)[n]1n(c(cc1C(C)C)C(C)C)[BH](n1[n]2c(C(C)C)cc1C(C)C)n1[n]3c(C(C)C)cc1C(C)C
• Title of publication: Synthesis and Spectroscopic Characterization of Copper(II)-Nitrito Complexes with Hydrotris(pyrazolyl)borate and Related Coligands
• Authors of publication: Nicolai Lehnert; Ursula Cornelissen; Frank Neese; Tetsuya Ono; Yuki Noguchi; Ken-ichi Okamoto; Kiyoshi Fujisawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3916 - 3933
• a: 10.008 ± 0.004 Å
• b: 19.188 ± 0.007 Å
• c: 16.541 ± 0.007 Å
• α: 90°
• β: 106.065 ± 0.005°
• γ: 90°
• Cell volume: 3052 ± 2 ų
• Cell temperature: 207.1 K
• Number of distinct elements: 6
• 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: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 2.775
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No