Information card for entry 4310499

Structure parameters

• Formula: C9 H11 Cu N5 O
• Calculated formula: C9 H11 Cu N5 O
• SMILES: [Cu]12(Oc3c(C=[N]2CC[NH2]1)cccc3)N=N#N
• Title of publication: Unprecedented Low Cu-N(azide)-Cu Angles in End-On Double Azido Bridged Copper(II) Complex
• Authors of publication: Subratanath Koner; Sandip Saha; Tallal Mallah; Ken-Ichi Okamoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 840 - 842
• a: 14.855 ± 0.002 Å
• b: 12.647 ± 0.004 Å
• c: 5.9688 ± 0.0009 Å
• α: 90°
• β: 98.37 ± 0.01°
• γ: 90°
• Cell volume: 1109.4 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No