Information card for entry 7017608

Structure parameters

• Formula: C4 H6 Cd Cl N2 O4 P
• Calculated formula: C4 H6 Cd Cl N2 O4 P
• Title of publication: Zinc and cadmium 2-pyrazinephosphonates: Syntheses, structures and luminescent properties.
• Authors of publication: Ma, Yun-Sheng; Tang, Xiao-Yan; Yin, Wen-Yu; Wu, Bin; Xue, Feng-Feng; Yuan, Rong-Xin; Roy, Soumyajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2340 - 2345
• a: 5.6914 ± 0.0011 Å
• b: 7.0423 ± 0.0014 Å
• c: 11.57 ± 0.002 Å
• α: 79.5 ± 0.03°
• β: 77.9 ± 0.03°
• γ: 71.68 ± 0.03°
• Cell volume: 427.05 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No