Information card for entry 4314811

Structure parameters

• Common name: MPC-P
• Formula: C33.5 H33.5 Cl1.5 Cu3 N6
• Calculated formula: C33.5 H33.5 Cl1.5 Cu3 N6
• Title of publication: Exploring Intertrimer Cu...Cu Interactions and Further Phosphorescent Properties of Aryl Trimer Copper(I) Pyrazolates via Substituent Changing and External Pressure
• Authors of publication: Fangbin Gong; Qian Wang; Jun Chen; Zhipei Yang; Min Liu; Shayu Li; Guoqiang Yang; Ligang Bai; Jing Liu; Yuhui Dong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1658 - 1666
• a: 18.172 ± 0.004 Å
• b: 7.034 ± 0.0014 Å
• c: 28.476 ± 0.006 Å
• α: 90°
• β: 97.09 ± 0.03°
• γ: 90°
• Cell volume: 3612 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.00001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No