Information card for entry 7215514

Structure parameters

• Formula: C3 H4 Cu N7
• Calculated formula: C3 H4 Cu N7
• Title of publication: Methyl groups control coordination number, stoichiometry, network and magnetism in a Cu(ii)-azide-pyrazine (6,3) 2D net
• Authors of publication: Massoud, Alshima'a A.; Abu-Youssef, Morsy A. M.; Vejpravová, Jana Poltierová; Langer, Vratislav; Öhrström, Lars
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 223 - 225
• a: 5.8645 ± 0.0004 Å
• b: 7.5587 ± 0.0005 Å
• c: 8.1625 ± 0.0006 Å
• α: 77.744 ± 0.002°
• β: 76.991 ± 0.001°
• γ: 83.633 ± 0.001°
• Cell volume: 343.75 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7200416
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No