Crystallography Open Database

Information card for entry 8102779

Preview

Coordinates	8102779.cif

Structure parameters

Chemical name	diaqua[3-hydroxycyclobutane-1,1-dicarboxylato]zinc(II) dihydrate, [Zn(C~6~H~6~O~5~)(H~2~O)~2~].(H~2~O)~2~
Formula	C6 H14 O9 Zn
Calculated formula	C6 H14 O9 Zn
Title of publication	Crystal structure of diaqua(3-hydroxycyclobutane-1,1-dicarboxylato)zinc(II) dihydrate, Zn(H2O)2(C6H6O5) · 2H2O
Authors of publication	Xi-Zhu Chen; Qing-Song Ye; Ming-Jin Xie; Jia-Lin Chen; Zai-Fu Pan; Xiao-Hong Yang; Wei-Ping Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	517
a	7.4328 ± 0.0017 Å
b	14.317 ± 0.003 Å
c	9.856 ± 0.002 Å
α	90°
β	107.548 ± 0.003°
γ	90°
Cell volume	1000 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.087
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
176728 (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 8.	8102779.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102779.cif
13518	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102779 via cif-deposit CGI script.	8102779.cif