Crystallography Open Database

Information card for entry 4305251

Preview

Coordinates	4305251.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Cu(TIM)]2[Cu13Cl30(H2O)4]xH2O}n
Formula	C14 H25.4 Cl15 Cu7.51 N4 O1.28
Calculated formula	C14 H24 Cl15 Cu7.508 N4 O1.29
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	9.4539 ± 0.0013 Å
b	9.7873 ± 0.0013 Å
c	10.9255 ± 0.0015 Å
α	98.7616 ± 0.001°
β	107.115 ± 0.002°
γ	109.192 ± 0.002°
Cell volume	877 ± 0.2 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 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	0.0247
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4305251.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305251.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305251.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305251.cif