Crystallography Open Database

Information card for entry 7054625

Preview

Coordinates	7054625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H8 O8 Zn
Calculated formula	C2 H8 O8 Zn
Title of publication	A Zn-oxalate helix linked by a water helix: spontaneous chiral resolution of a Zn helical coordination polymer
Authors of publication	Mei, Hong-Xin; Zhang, Ting; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	3
Pages of publication	2075
a	7.42 ± 0.0009 Å
b	7.42 ± 0.0009 Å
c	12.11 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	577.41 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	7054625.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7054625.cif
133459	2015-03-06	cif/ Updating files of 7054625, 7054626 Original log message: Adding full bibliography for 7054625--7054626.cif.	7054625.cif
129486	2015-01-09	cif/ Adding structures of 7054625, 7054626 via cif-deposit CGI script.	7054625.cif