Information card for entry 7006673

Structure parameters

• Formula: C14.25 H29 Cl2 Cu2 N4 O5.25
• Calculated formula: C14.25 H29 Cl2 Cu2 N4 O5.25
• 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: 8.2431 ± 0.0001 Å
• b: 9.3178 ± 0.0001 Å
• c: 14.9459 ± 0.0001 Å
• α: 78.162 ± 0.001°
• β: 80.574 ± 0.001°
• γ: 73.851 ± 0.001°
• Cell volume: 1072.23 ± 0.02 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No