Crystallography Open Database

Information card for entry 8103254

Preview

Coordinates	8103254.cif

Structure parameters

Formula	C9 H16 Cd O10
Calculated formula	C9 H16 Cd O10
Title of publication	Crystal structure of catena-triaqua(5-methoxyisophthalate)cadmium(II) — water (1:2), [Cd(C9H6O5)(H2O)3] • 2H2O
Authors of publication	Hui-Ju Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	629
a	16.133 ± 0.002 Å
b	17.828 ± 0.002 Å
c	10.2487 ± 0.0014 Å
α	90°
β	116.65 ± 0.002°
γ	90°
Cell volume	2634.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103254.cif
176728	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.	8103254.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103254.cif
32596	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103254 via cif-deposit CGI script.	8103254.cif