Crystallography Open Database

Information card for entry 8103108

Preview

Coordinates	8103108.cif

Structure parameters

Chemical name	(1,4-bis((1H-imidazol-1-yl)methyl)benzene(5-hydroxyisophthalato) cadmium (II)
Formula	C22 H20 Cd N4 O6
Calculated formula	C22 H20 Cd N4 O6
Title of publication	Crystal structure of aqua[1,4-bis((1H-imidazol-1-yl)methyl)benzene]-(5-hydroxyisophthalato)cadmium(II), Cd(H2O)(C14H14N4)(C8H4O5)
Authors of publication	Dao-Cheng Xia; Ji-Huan Yao; Wen-Chan Zhang; Ren-Qiang Huang; Xu-Qing Yang; Jing-Jing Jing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	17
a	11.5679 ± 0.0005 Å
b	8.425 ± 0.0003 Å
c	11.6371 ± 0.0004 Å
α	90°
β	113.39 ± 0.005°
γ	90°
Cell volume	1040.95 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0447
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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.	8103108.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103108.cif
29045	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103108 via cif-deposit CGI script.	8103108.cif