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Information card for entry 4326508
Preview
| Coordinates | 4326508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H37 I2 N Ni O P2 |
|---|---|
| Calculated formula | C36 H37 I2 N Ni O P2 |
| SMILES | [Ni]12(I)[P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccc(OC)cc1)(c1ccccc1)c1ccccc1.[I-] |
| Title of publication | Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides |
| Authors of publication | Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 10213 - 10224 |
| a | 11.9939 ± 0.0005 Å |
| b | 12.7222 ± 0.0005 Å |
| c | 12.9714 ± 0.0009 Å |
| α | 105.152 ± 0.002° |
| β | 100.967 ± 0.002° |
| γ | 110.363 ± 0.002° |
| Cell volume | 1702.42 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.336 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4326508.cif |
| 179368 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/65. |
4326508.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326508.cif |
| 48785 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4326508 via cif-deposit CGI script. |
4326508.cif |
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