Crystallography Open Database

Information card for entry 7016572

Preview

Coordinates	7016572.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(dippe)Ni(S2O3)]
Formula	C14 H32 Ni O3 P2 S2
Calculated formula	C14 H32 Ni O3 P2 S2
SMILES	C(C)(C)[P]1(C(C)C)CC[P](C(C)C)(C(C)C)[Ni]21OS(=O)(=O)S2
Title of publication	Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions.
Authors of publication	González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	36
Pages of publication	9116 - 9122
a	22.7088 ± 0.0003 Å
b	22.7088 ± 0.0003 Å
c	7.9025 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4075.24 ± 0.13 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179869 (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 7/01/65.	7016572.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016572.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016572.cif
27462	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7016571, 7016572 via cif-deposit CGI script.	7016572.cif