Information card for entry 4307471

Structure parameters

• Formula: C20 H34 Cl2 Cu N6 O4
• Calculated formula: C20 H34 Cl2 Cu N6 O4
• SMILES: [Cu]123(ON=[O]1)(ON=[O]2)[n]1n(Cn2[n]3c(C(C)C)cc2C(C)C)c(cc1C(C)C)C(C)C.ClCCl
• 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: 8.2462 ± 0.0005 Å
• b: 9.7908 ± 0.0005 Å
• c: 18.359 ± 0.0009 Å
• α: 90.679 ± 0.002°
• β: 98.948 ± 0.002°
• γ: 114.061 ± 0.002°
• Cell volume: 1332.32 ± 0.13 ų
• Cell temperature: 183.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 4.962
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No