Information card for entry 7114187

Structure parameters

• Formula: C14 H12 Cl Co N11
• Calculated formula: C14 H12 Cl Co N11
• Title of publication: Novel coordination of dicyanamide, [N(CN)2]???: preferential binding of the amide nitrogen
• Authors of publication: Marshall, Shireen R.; Incarvito, Christopher D.; Shum, William W.; Rheingold, Arnold L.; Miller, Joel S.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 3006
• a: 7.969 ± 0.0005 Å
• b: 13.8284 ± 0.0009 Å
• c: 8.1547 ± 0.0005 Å
• α: 90°
• β: 110.579 ± 0.001°
• γ: 90°
• Cell volume: 841.29 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No