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Information card for entry 4342695
Preview
| Coordinates | 4342695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H98 N12 O29 P4 Pd12 S |
|---|---|
| Calculated formula | C57 H98 N12 O29 P4 Pd12 S |
| Title of publication | A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host‒Guest Studies |
| Authors of publication | Gupta, Arvind K.; Yadav, Ashok; Srivastava, Anant Kumar; Ramya, Kormathmadam Raghupathy; Paithankar, Harshad; Nandi, Shyamapada; Chugh, Jeetender; Boomishankar, Ramamoorthy |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Pages of publication | 150317143949001 |
| a | 21.4768 ± 0.0011 Å |
| b | 28.3891 ± 0.0014 Å |
| c | 17.6626 ± 0.0008 Å |
| α | 90° |
| β | 108.407 ± 0.002° |
| γ | 90° |
| Cell volume | 10218 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0722 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208163 (current) | 2018-06-07 | cif/ (antanas@echidna) Updating space group information in entries 1547455, 2209456, 2221415, 2300212, 2300213, 2300214, 2300215, 2300216, 2300217, 2300218, 2300219, 2300220, 2300221, 2300222, 2300223, 2300224, 2300225, 2300226, 2300227, 2300228, 4342695, 4344823, 7003373, 7003374, 7206577, 7227656. |
4342695.cif |
| 204119 | 2017-12-10 | cif/4/34/26/ Updating space group information in entries 4342688, 4342689, 4342690, 4342691, 4342692, 4342693, 4342694, 4342695, 4342696. |
4342695.cif |
| 179529 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26. |
4342695.cif |
| 134073 | 2015-03-19 | cif/ Adding structures of 4342695 via cif-deposit CGI script. |
4342695.cif |
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Users of the data should acknowledge the original authors of the
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