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Information card for entry 4071698
Preview
| Coordinates | 4071698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H44 B9 D18 K N3 O P Ti |
|---|---|
| Calculated formula | C43 H62 B9 K N3 O P Ti |
| SMILES | [Ti]23456([O]=P7(N(C(C)C)C(C)C)[C]1895[BH]5%10%114[BH]4%123[BH]3%132[BH]2%14%15[BH]%161([BH]18%10([BH]85%12[BH]432[BH]%14%1618)[K]123458%10%12%11([c]%117[c]71cccc[c]27[c]13cccc[c]4%111)([CH]1=[CH]5C=C[CH]8=[CH]%101)[CH]1=[CH]%12C=CC=C1)[CH]69%13%15)(N(C)C)N(C)C.c1ccccc1 |
| Title of publication | Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2− |
| Authors of publication | Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3964 |
| a | 10.5092 ± 0.0004 Å |
| b | 26.7479 ± 0.0011 Å |
| c | 17.1051 ± 0.0007 Å |
| α | 90° |
| β | 100.61 ± 0.001° |
| γ | 90° |
| Cell volume | 4726 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0918 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071698.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071698.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071698.cif |
| 43986 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071693, 4071694, 4071695, 4071696, 4071697, 4071698 via cif-deposit CGI script. |
4071698.cif |
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Users of the data should acknowledge the original authors of the
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