Crystallography Open Database

Information card for entry 4305252

Preview

Coordinates	4305252.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2[DBA][Cd9Cl10] + 2H2O
Formula	C16 H44 Cd9 Cl20 N2 O2
Calculated formula	C16 H44 Cd9 Cl20 N2 O2
Title of publication	Structures of [(n-C4H9)2NH2]2Cd9Cl20.2H2O and [Cu(C14H24N4)]2Cu13Cl30(H2O)2.xH2O: Perforated Layer Structures Based on the CdCl2 Layer Network
Authors of publication	Adrienne A. Thorn; Roger D. Willett; Brendan Twamley
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5775 - 5779
a	9.9812 ± 0.0011 Å
b	10.1132 ± 0.0011 Å
c	13.3633 ± 0.0015 Å
α	71.15 ± 0.002°
β	86.149 ± 0.002°
γ	86.137 ± 0.002°
Cell volume	1272.2 ± 0.2 Å³
Cell temperature	86 ± 2 K
Ambient diffraction temperature	86 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	0.867
Diffraction radiation probe	x-ray
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305252.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305252.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305252.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305252.cif