Information card for entry 7001668

Structure parameters

• Common name: Chloro(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy)-(1,3,2,4)- diazadiphosphetidine)gold(i)
• Chemical name: Chloro(1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy)- [1,3,2,4]-diazadiphosphetidine)gold(I)
• Formula: C22 H32 Au Cl N2 O4 P2
• Calculated formula: C22 H32 Au Cl N2 O4 P2
• SMILES: [Au](Cl)[P]1(Oc2ccccc2OC)N(P(Oc2ccccc2OC)N1C(C)(C)C)C(C)(C)C
• Title of publication: Gold(i) complexes of cyclodiphosphazanes cis-{RP(μ-NtBu)}2: structure of a novel tetranuclear gold(i) macrocycle, [{Au{(o-MeOC6H4O)P(μ-NtBu)}2}4](ClO4)4
• Authors of publication: Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 28
• Pages of publication: 5478 - 5486
• a: 8.712 ± 0.0006 Å
• b: 13.4408 ± 0.0009 Å
• c: 22.399 ± 0.002 Å
• α: 90°
• β: 90.376 ± 0.001°
• γ: 90°
• Cell volume: 2622.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.022
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No