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Information card for entry 4345296
Preview
| Coordinates | 4345296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C144 H120 N48 Pd6 |
|---|---|
| Calculated formula | C144 H120 N48 Pd6 |
| SMILES | c1n2cc[n]1[Pd]13[n]4cn(c5ccc(cc5)n5c[n](cc5)[Pd]56[n]7cn(cc7)c7ccc(cc7)n7c[n](cc7)[Pd]7([n]8cn(c9ccc(n%10c[n](cc%10)[Pd]%10([n]%11cn(c%12ccc(cc%12)n%12c[n](cc%12)[Pd]([n]%12cn(cc%12)c%12ccc(cc%12)n%12cc[n]3c%12)([n]3cn(cc3)c3ccc(n%12cc[n]([Pd]([n]%13cn(c%14ccc2cc%14)cc%13)([n]2cn(cc2)c2ccc(cc2)n2c[n]5cc2)[n]2cn(c5ccc(cc5)n5c[n]%10cc5)cc2)c%12)cc3)[n]2cn(c3ccc(cc3)n3c[n]7cc3)cc2)cc%11)[n]2ccn(c3ccc(cc3)n3c[n]6cc3)c2)cc9)cc8)[n]2cn(c3ccc(n5c[n]1cc5)cc3)cc2)cc4 |
| Title of publication | Versatility of Two Diimidazole Building Blocks in Coordination-Driven Self-Assembly. |
| Authors of publication | Roy, Bijan; Saha, Rupak; Ghosh, Aloke Kumar; Patil, Yogesh; Mukherjee, Partha Sarathi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 3579 - 3588 |
| a | 32.293 ± 0.003 Å |
| b | 31.265 ± 0.003 Å |
| c | 35.443 ± 0.004 Å |
| α | 90° |
| β | 105.81 ± 0.003° |
| γ | 90° |
| Cell volume | 34431 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1822 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345296.cif |
| 194803 | 2017-04-04 | cif/ Updating files of 4345294, 4345295, 4345296 Original log message: Adding full bibliography for 4345294--4345296.cif. |
4345296.cif |
| 192788 | 2017-03-03 | cif/ Adding structures of 4345296 via cif-deposit CGI script. |
4345296.cif |
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Users of the data should acknowledge the original authors of the
structural data.