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Information card for entry 2232294
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Coordinates | 2232294.cif |
---|---|
Structure factors | 2232294.hkl |
Original IUCr paper | HTML |
Chemical name | [<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)benzylamine-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) dichloromethane monosolvate |
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Formula | C32 H29 Cl4 N Ni P2 |
Calculated formula | C32 H29 Cl4 N Ni P2 |
SMILES | [Ni]1([P](N(Cc2ccccc2)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.ClCCl |
Title of publication | [<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)benzylamine-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) dichloromethane monosolvate |
Authors of publication | Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1571 |
a | 11.074 ± 0.006 Å |
b | 8.906 ± 0.005 Å |
c | 15.814 ± 0.008 Å |
α | 90° |
β | 91.815 ± 0.012° |
γ | 90° |
Cell volume | 1558.9 ± 1.4 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0287 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.0483 |
Weighted residual factors for all reflections included in the refinement | 0.0486 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
211407 (current) | 2018-10-12 | cif/2/23/22/ Correcting the _chemical_name_systematic data item value in entry 2232294 by replacing the full stop symbol ('.') with the opening angle bracket symbol ('<') after consulting the original publication. |
2232294.cif 2232294.hkl |
181244 | 2016-04-03 | 2232294.cif 2232294.hkl | |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232294.cif |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232294.cif |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232294.cif |
30949 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232294 via cif-deposit CGI script. |
2232294.cif |
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