Information card for entry 4313746

Structure parameters

• Formula: C10 H4 Cu1.5 N11 O0.38
• Calculated formula: C10 H4 Cu1.5 N11 O0.378
• Title of publication: Structures and Magnetic Behavior of 1-, 2-, and 3D Coordination Polymers in the Cu(II)-Dicyanamide-Pyrimidine Family
• Authors of publication: Jamie L. Manson; Jiyeong Gu; John A. Schlueter; H.-Hau Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3950 - 3955
• a: 7.7439 ± 0.0004 Å
• b: 9.3388 ± 0.0005 Å
• c: 10.1779 ± 0.0005 Å
• α: 86.014 ± 0.002°
• β: 88.505 ± 0.002°
• γ: 73.623 ± 0.002°
• Cell volume: 704.46 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No