Information card for entry 7002972

Structure parameters

• Formula: C94 H89 Br2 Cu2 N19 P8
• Calculated formula: C94 H89 Br2 Cu2 N19 P8
• Title of publication: 1 : 2 Adducts of copper(i) halides with 1,2-bis(di-2-pyridylphosphino)ethane: solid state and solution structural studies and antitumour activity
• Authors of publication: Bowen, Richard J.; Navarro, Maribel; Shearwood, Anne-Marie J.; Healy, Peter C.; Skelton, Brian W.; Filipovska, Aleksandra; Berners-Price, Susan J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10861 - 10870
• a: 12.7223 ± 0.0006 Å
• b: 12.7701 ± 0.0008 Å
• c: 15.117 ± 0.0009 Å
• α: 84.684 ± 0.005°
• β: 67.697 ± 0.005°
• γ: 84.046 ± 0.004°
• Cell volume: 2256.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No