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Information card for entry 4070912
Preview
| Coordinates | 4070912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4 |
|---|---|
| Formula | C52 H112 N12 Sr2 |
| Calculated formula | C52 H112 N12 Sr2 |
| SMILES | C1(=[N](C(C)C)[Sr]234([N]5(C(C)C)=C([N]2(C(C)C)[Sr]256([N](C(C)C)=C(N2C(C)C)N(C(C)C)C(C)C)[N]3(C(C)C)=C([N]46C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N1C(C)C)N(C(C)C)C(C)C |
| Title of publication | Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes |
| Authors of publication | Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 1596 |
| a | 15.289 ± 0.0018 Å |
| b | 23.481 ± 0.003 Å |
| c | 34.845 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12509 ± 3 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4070912.cif |
| 178598 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/09. |
4070912.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070912.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070912.cif |
| 42840 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070911, 4070912, 4070913, 4070914, 4070915, 4070916 via cif-deposit CGI script. |
4070912.cif |
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Users of the data should acknowledge the original authors of the
structural data.