Crystallography Open Database

Information card for entry 7018018

Preview

Coordinates	7018018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 N4 Ni O16 P2 S4
Calculated formula	C42 H72 N4 Ni O16 P2 S4
Title of publication	Complexation properties of the crown ether-containing N-thiophosphorylated thiourea towards Ni(II).
Authors of publication	Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	5
Pages of publication	1451 - 1453
a	23.4963 ± 0.0006 Å
b	8.2208 ± 0.0003 Å
c	29.2604 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5651.9 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179884 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80.	7018018.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018018.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018018.cif
33494	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018017, 7018018 via cif-deposit CGI script.	7018018.cif