Information card for entry 4315836

Structure parameters

• Formula: C6 H13 Cu N14 O7
• Calculated formula: C6 H13 Cu N14 O7
• Title of publication: Insights into the Origin of Cooperative Effects in the Spin Transition of [Fe(NH2trz)3](NO3)2: the Role of Supramolecular Interactions Evidenced in the Crystal Structure of [Cu(NH2trz)3](NO3)2.H2O
• Authors of publication: Marinela M. Dîrtu; Christine Neuhausen; Anil D. Naik; Aurelian Rotaru; Leonard Spinu; Yann Garcia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5723 - 5736
• a: 16.635 ± 0.006 Å
• b: 13.223 ± 0.004 Å
• c: 7.805 ± 0.003 Å
• α: 90°
• β: 102.56 ± 0.03°
• γ: 90°
• Cell volume: 1675.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No