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Information card for entry 2228846
Preview
Coordinates | 2228846.cif |
---|---|
Structure factors | 2228846.hkl |
Original IUCr paper | HTML |
Chemical name | (5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) bis[<i>O</i>,<i>O</i>'-bis(4-<i>tert</i>-butylphenyl) dithiophosphate] |
---|---|
Formula | C56 H84 N4 Ni O4 P2 S4 |
Calculated formula | C56 H84 N4 Ni O4 P2 S4 |
SMILES | C1(C)CC(C)(C)[NH]2[Ni]34[N](CC2)=C(CC(C)(C)[NH]4CC[N]=13)C.c1(OP(Oc2ccc(cc2)C(C)(C)C)(=S)[S-])ccc(cc1)C(C)(C)C.c1(OP(Oc2ccc(cc2)C(C)(C)C)(=S)[S-])ccc(cc1)C(C)(C)C |
Title of publication | (5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) bis[<i>O</i>,<i>O</i>'-bis(4-<i>tert</i>-butylphenyl) dithiophosphate] |
Authors of publication | Lai, Chuan; Xie, Bin; Zou, Li-Ke; Feng, Jian-Shen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m17 |
a | 9.445 ± 0.002 Å |
b | 12.168 ± 0.003 Å |
c | 12.74 ± 0.003 Å |
α | 95.965 ± 0.004° |
β | 91.36 ± 0.003° |
γ | 99.787 ± 0.004° |
Cell volume | 1433.8 ± 0.6 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.063 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0916 |
Weighted residual factors for all reflections included in the refinement | 0.1011 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228846.html
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