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Information card for entry 7018955
Preview
| Coordinates | 7018955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | mercuryarenide |
|---|---|
| Formula | C72 H144 As14 Hg2 K4 N8 O24 |
| Calculated formula | C72 H144 As14 Hg2 K4 N8 O24 |
| SMILES | [As]12[As]3[As]4[As]([As]1[As][As]34)[Hg]2[Hg]1[As]2[As]3[As]1[As]1[As]2[As]1[As]3.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[N]23CC[O]4CC[O]5CC[N]67CC[O]8CC[O](CC2)[K]234578[O]1CC[O]2CC6 |
| Title of publication | On the stability of an unsupported mercury-mercury bond linking group 15 Zintl clusters. |
| Authors of publication | Mandal, Sukhendu; Reber, Arthur C.; Qian, Meichun; Liu, Ran; Saavedra, Hector M.; Sen, Saikat; Weiss, Paul S.; Khanna, Shiv N.; Sen, Ayusman |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 18 |
| Pages of publication | 5454 - 5457 |
| a | 14.029 ± 0.003 Å |
| b | 21.253 ± 0.005 Å |
| c | 43.06 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12839 ± 5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1198 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179893 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89. |
7018955.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018955.cif |
| 56007 | 2012-05-08 | cif/ Adding structures of 7018955 via cif-deposit CGI script. |
7018955.cif |
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