Information card for entry 7114301

Structure parameters

• Formula: C80 H112 As4 Li10 N24 O8 S12
• Calculated formula: C80 H112 As4 Li10 N24 O8 S12
• SMILES: [Li]12([N]34[Li]5(N2c2sc(c[n]2[Li]2([N]61[As]3N([As]1[N]37[Li]8([n]9c4sc(c9)C)[N]49[Li]7([N]71[Li]([n]1c7sc(c1)C)([n]1c6sc(c1)C)[n]1c9sc(c1)C)[n]1c([N]67[Li]9([N]%10%11[Li]%12([n]%13(c(N([As]7%10)[As]4[N]48[Li]([n]7c3sc(c7)C)([n]3c4sc(c3)C)[n]3c%11sc(c3)C)sc(c%13)C)[Li]6(N9c3sc(c[n]%123)C)[O]3CCCC3)[O]3CCCC3)[O]3CCCC3)sc(c1)C)c1[n]52cc(s1)C)[O]1CCCC1)C)[O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis of a deca-lithium cage containing an [(RN)2As(µ-NR)As(NR)2]4‒ tetraanion; a homologue of group 15 trianions of the type [E(NR)3]3‒Electronic supplementary information (ESI) available: synthesis and spectroscopic details for 1 and 2. See http://www.rsc.org/suppdata/cc/b2/b202858a/
• Authors of publication: Bond, Andrew D.; García, Felipe; Jantos, Katja; Lawson, Gavin T.; McPartlin, Mary; Wright, Dominic S.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 1276
• a: 13.7522 ± 0.0003 Å
• b: 25.1455 ± 0.0008 Å
• c: 15.9021 ± 0.0005 Å
• α: 90°
• β: 101.483 ± 0.002°
• γ: 90°
• Cell volume: 5389 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No