Information card for entry 7003677

Structure parameters

• Formula: C72 H128 Au2 B24 N2 Na2 O15 P2
• Calculated formula: C72 H128 Au2 B24 N2 Na2 O15 P2
• SMILES: c1ccccc1[P](c1ccccc1)(c1ccccc1)[Au][NH2][B]1234[BH]567[BH]89%10[BH]%1115[BH]152[BH]2%123[BH]346[BH]478[BH]6%123[BH]352[BH]9%111[BH]%10463.C1C[O]2CC[O]3CC[O](CC[O]4CC[O]5CC[O]1[Na]2345([O]1CCCC1)[O]1CCCC1)[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1ccccc1[P](c1ccccc1)(c1ccccc1)[Au][NH2][B]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]%1134[BH]5671
• Title of publication: η1 and η2 Coordination of 1-amino-closo-dodecaborate
• Authors of publication: Kirchmann, Marius; Wesemann, Lars
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2144 - 2148
• a: 22.2314 ± 0.001 Å
• b: 17.8315 ± 0.0013 Å
• c: 24.0291 ± 0.0011 Å
• α: 90°
• β: 102.936 ± 0.004°
• γ: 90°
• Cell volume: 9283.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No