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Information card for entry 7015153
Preview
Coordinates | 7015153.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H24 N6 Ni O2 S2 |
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Calculated formula | C18 H24 N6 Ni O2 S2 |
SMILES | [Ni]1234(SC(=N[N]3=C(c3[o]1ccc3)C)NCC)SC(=N[N]4=C(c1[o]2ccc1)C)NCC |
Title of publication | Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes. |
Authors of publication | Lobana, Tarlok Singh; Kumari, Poonam; Sharma, Rekha; Castineiras, Alfonso; Butcher, Ray Jay; Akitsu, Takashiro; Aritake, Yoshikazu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 13 |
Pages of publication | 3219 - 3228 |
a | 8.6756 ± 0.001 Å |
b | 14.178 ± 0.0013 Å |
c | 17.316 ± 0.002 Å |
α | 90° |
β | 93.068 ± 0.008° |
γ | 90° |
Cell volume | 2126.9 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0312 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0912 |
Weighted residual factors for all reflections included in the refinement | 0.0912 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015153.html
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Users of the data should acknowledge the original authors of the
structural data.