Information card for entry 7006672

Structure parameters

• Formula: C14 H31 Cl2 Co N4 O6.5 Zn
• Calculated formula: C14 H26 Cl2 Co N4 O6.5 Zn
• 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: 8.237 ± 0.0016 Å
• b: 16.152 ± 0.003 Å
• c: 17.347 ± 0.004 Å
• α: 90°
• β: 90.3 ± 0.03°
• γ: 90°
• Cell volume: 2307.9 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No