Information card for entry 2104608

Structure parameters

• Chemical name: bis(mu(2)-5,10,15-Tris(3,5-di-t-butyl)phenyl)-20(1H-1,2,3-triazol-4-yl)- di-zinc(ii) acetonitrile benzene solvate
• Formula: C168 H194 N22 Zn2
• Calculated formula: C168 H194 N22 Zn2
• SMILES: c12=C3c4[n]5c(=C(c6n7c(C(=c8ccc9C(=c(cc1)n2[Zn]57([n]89)[n]1n[nH]cc1C1=c2ccc5C(=c7ccc8=C(c9[n]%10c(=C(c%11n(c1cc%11)[Zn]%10([n]1n[nH]cc31)([n]25)n78)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc9)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc6)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)cc4.N#CC.N#CC.c1ccccc1.c1ccccc1.C(#N)C.C(#N)C.N#CC.N#CC.c1ccccc1.c1ccccc1.C(#N)C.C(#N)C
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 13.1202 ± 0.0013 Å
• b: 16.6253 ± 0.0016 Å
• c: 17.5706 ± 0.0017 Å
• α: 78.601 ± 0.002°
• β: 81.694 ± 0.002°
• γ: 89.735 ± 0.002°
• Cell volume: 3716.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No