Crystallography Open Database

Information card for entry 8102784

Preview

Coordinates	8102784.cif

Structure parameters

Formula	C17 H30 Cd2 N4 O15
Calculated formula	C17 H30 Cd2 N4 O15
Title of publication	Crystal structure of catena-aquabis(pyridine-2,6-dicarboxylato-O,N,O')-(1,2-propylenediamine)dicadmium(II) hexahydrate, Cd2(H2O)(C7H3NO4)2(C3H10N2) · 6H2O
Authors of publication	Ya-Zhou Xu; Wei-Ping Tang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	597
a	11.5769 ± 0.0014 Å
b	9.9113 ± 0.0012 Å
c	12.2931 ± 0.0015 Å
α	90°
β	111.048 ± 0.001°
γ	90°
Cell volume	1316.4 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	8102784.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.	8102784.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102784.cif
13523	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102784 via cif-deposit CGI script.	8102784.cif