Information card for entry 7006674

Structure parameters

• Formula: C14 H27 Cl Cu N4 O8
• Calculated formula: C14 H27 Cl Cu N4 O8
• Title of publication: Coordination chemistry of 1,4-bis-carboxymethylcyclam, H(2)(1,4-bcc).
• Authors of publication: Tonei, Deborah M.; Ware, David C.; Brothers, Penelope J.; Plieger, Paul G.; Clark, George R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 152 - 158
• a: 10.6771 ± 0.0002 Å
• b: 13.7835 ± 0.0002 Å
• c: 13.7784 ± 0.0001 Å
• α: 90°
• β: 101.718 ± 0.001°
• γ: 90°
• Cell volume: 1985.48 ± 0.05 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No