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Information card for entry 7052386
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Coordinates | 7052386.cif |
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Original paper (by DOI) | HTML |
Chemical name | tetrakis[2,7,12-trimethoxy-3,8,13-tris(4-pyridylmethylamino)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]-di(acetonitrile) bis(1-phenyl-1-monocarba-6-iodo-undecaborane)tetrasilver(I) 1-phenyl-1-monocarba-6-iodo-undecaborane acetonitrile clathrate |
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Formula | C222 H259 Ag4 B36 I4 N37 O12 |
Calculated formula | C222 H259 Ag4 B36 I4 N37 O12 |
SMILES | [Ag]12([n]3ccc(CNc4c(cc5c(c4)Cc4cc(c6cc4Cc4cc(c(cc4C5)NCc4cc[n]([Ag]5[n]7ccc(CNc8c(cc9Cc%10c(cc(c(c%10)NCc%10cc[n]1cc%10)OC)Cc1c(Cc9c8)cc(c(c1)NCc1cc[n]([Ag]8([n]9ccc(CNc%10c(cc%11Cc%12c(cc(c(c%12)NCc%12cc[n]2cc%12)OC)Cc2c(Cc%11c%10)cc(c(c2)NCc2cc[n]([Ag]([n]%10ccc(CN6)cc%10)[n]6ccc(CNc%10c(cc%11c(c%10)Cc%10cc(c(cc%10Cc%10cc(c(cc%10C%11)NCc%10cc[n]5cc%10)OC)NCc5cc[n]8cc5)OC)OC)cc6)cc2)OC)OC)cc9)[I][B]2568[BH]9%10[BH]%11%122[BH]2%139[BH]95%10[BH]5%10%13[BH]%13%112[BH]28%12[BH]695[C]%10%132c2ccccc2)cc1)OC)OC)cc7)cc4)OC)OC)OC)cc3)[N]#CC.I[B]1234[BH]56[BH]781[BH]195[BH]526[BH]263[BH]315[BH]189[BH]472[C]631c1ccccc1.I[B]1234[BH]56[BH]781[BH]195[BH]526[BH]263[BH]347[BH]481[BH]952[C]634c1ccccc1.I[B]1234[BH]56[BH]781[BH]195[BH]526[BH]269[BH]971[BH]148[BH]352[C]691c1ccccc1.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC |
Title of publication | Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra |
Authors of publication | Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2006 |
Journal volume | 30 |
Journal issue | 10 |
Pages of publication | 1390 |
a | 20.1481 ± 0.0019 Å |
b | 23.478 ± 0.003 Å |
c | 30.814 ± 0.003 Å |
α | 68.529 ± 0.005° |
β | 73.259 ± 0.004° |
γ | 65.528 ± 0.004° |
Cell volume | 12185 ± 2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1664 |
Residual factor for significantly intense reflections | 0.0944 |
Weighted residual factors for significantly intense reflections | 0.2468 |
Weighted residual factors for all reflections included in the refinement | 0.304 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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