Information card for entry 4307468

Structure parameters

• Formula: C19 H32 Cu N6 O6
• Calculated formula: C19 H32 Cu N6 O6
• SMILES: [Cu]123(ON(=[O]1)=O)(ON(=[O]2)=O)[n]1n(Cn2[n]3c(C(C)C)cc2C(C)C)c(cc1C(C)C)C(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: 9.017 ± 0.003 Å
• b: 10.374 ± 0.004 Å
• c: 13.917 ± 0.005 Å
• α: 81.215 ± 0.009°
• β: 72.996 ± 0.009°
• γ: 84.007 ± 0.01°
• Cell volume: 1227.9 ± 0.8 ų
• Cell temperature: 204.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 2.255
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No