Information card for entry 7002971

Structure parameters

• Formula: C94 H89 Cl2 Cu2 N19 P8
• Calculated formula: C94 H89 Cl2 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: 12.6804 ± 0.0006 Å
• b: 12.8005 ± 0.0002 Å
• c: 15.5405 ± 0.0006 Å
• α: 83.82 ± 0.002°
• β: 66.951 ± 0.004°
• γ: 81.93 ± 0.002°
• Cell volume: 2294.26 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.082
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No