Crystallography Open Database

Information card for entry 1517025

Preview

Coordinates	1517025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H9 Cd N6 O9
Calculated formula	C4 H9 Cd N6 O9
Title of publication	Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide
Authors of publication	Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	10
Pages of publication	3853
a	10.6999 ± 0.0005 Å
b	9.4421 ± 0.0004 Å
c	11.2283 ± 0.0005 Å
α	90°
β	108.935 ± 0.001°
γ	90°
Cell volume	1073 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517025.cif
123368	2014-09-08	cif/ Updating files of 1517024, 1517025, 1517026, 1517027, 1517028, 1517029, 1517030, 1517031, 1517032 Original log message: Adding full bibliography for 1517024--1517032.cif.	1517025.cif
119933	2014-07-10	cif/ Adding structures of 1517024, 1517025, 1517026, 1517027, 1517028, 1517029, 1517030, 1517031, 1517032 via cif-deposit CGI script.	1517025.cif