Information card for entry 7006675

Structure parameters

• Formula: C16 H32.5 Cl1.5 Cr N4 O11
• Calculated formula: C14 H26.5 Cl1.5 Cr N4 O10
• 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: 11.7521 ± 0.0001 Å
• b: 11.9632 ± 0.0001 Å
• c: 16.8661 ± 0.0001 Å
• α: 90°
• β: 104.373 ± 0.001°
• γ: 90°
• Cell volume: 2297.03 ± 0.03 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No