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Information card for entry 4070897
Preview
| Coordinates | 4070897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H76 B18 Hf2 N2 O6 |
|---|---|
| Calculated formula | C40 H76 B18 Hf2 N2 O6 |
| SMILES | [BH]1234[BH]567[BH]89([BH]%10%116[BH]625[BH]251[BH]1%12%13[C]8([CH]321)([BH]9%10%12[BH]%1165%13)C1=CCc2c1cccc2)[Hf]1247(N(C)C)[O](CC[O]1C)[Hf]134([BH]567[BH]891[BH]1%103[BH]3%119[BH]968[BH]685[BH]5%12%13[C]1([CH]765)([BH]%103%12[BH]%1198%13)C1=CCc3c1cccc3)(N(C)C)[O]2CC[O]4C.O1CCCC1.O1CCCC1 |
| Title of publication | Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane |
| Authors of publication | Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1157 |
| a | 9.4478 ± 0.0011 Å |
| b | 14.7429 ± 0.0018 Å |
| c | 18.82 ± 0.002 Å |
| α | 90° |
| β | 97.712 ± 0.002° |
| γ | 90° |
| Cell volume | 2597.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 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 4/07/08. |
4070897.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070897.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070897.cif |
| 42831 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070893, 4070894, 4070895, 4070896, 4070897, 4070898, 4070899, 4070900, 4070901, 4070902 via cif-deposit CGI script. |
4070897.cif |
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Users of the data should acknowledge the original authors of the
structural data.