Information card for entry 2232840

Structure parameters

• Chemical name: Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[bis(1<i>H</i>- benzimidazol-2-ylmethyl)amine]copper(II)} dinitrate
• Formula: C32 H34 Cu2 N18 O8
• Calculated formula: C32 H34 Cu2 N18 O8
• SMILES: C1c2[n](c3c([nH]2)cccc3)[Cu]2([NH]1Cc1[n]2c2ccccc2[nH]1)N=N#N.N(=O)(=O)[O-].O
• Title of publication: Di-μ-azido-κ^4^<i>N</i>:<i>N</i>-bis{aqua[bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II)} dinitrate
• Authors of publication: Luo, Yuan-yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1703 - m1704
• a: 11.1435 ± 0.001 Å
• b: 14.1942 ± 0.0012 Å
• c: 12.6567 ± 0.0011 Å
• α: 90°
• β: 112.046 ± 0.001°
• γ: 90°
• Cell volume: 1855.6 ± 0.3 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes