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Information card for entry 7031305
Preview
| Coordinates | 7031305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JW14 |
|---|---|
| Formula | C33 H53 B11 Cu2 Ge N4 P2 |
| Calculated formula | C33 H53 B11 Cu2 Ge N4 P2 |
| SMILES | [Ge]12345([Cu]67[Cu]891[P](C[P@]6(c1c(cccc1)[N]7(C)C)c1c(N(C)C)cccc1)(c1c([N]9(C)C)cccc1)c1c([N]8(C)C)cccc1)[BH]167[BH]892[BH]2%103[BH]3%114[BH]4%122[BH]2%13%14[BH]8%104[BH]192[BH]16%13[BH]573[BH]%11%12%141 |
| Title of publication | Dinuclear copper complexes: coordination of Group 14 heteroborates. |
| Authors of publication | Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 31 |
| Pages of publication | 11867 - 11876 |
| a | 13.1755 ± 0.0004 Å |
| b | 16.9103 ± 0.0004 Å |
| c | 19.1784 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4273 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180019 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/13. |
7031305.cif |
| 121654 | 2014-08-08 | cif/ Updating files of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 Original log message: Adding full bibliography for 7031303--7031308.cif. |
7031305.cif |
| 116490 | 2014-06-13 | cif/ Adding structures of 7031303, 7031304, 7031305, 7031306, 7031307, 7031308 via cif-deposit CGI script. |
7031305.cif |
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