Crystallography Open Database

Information card for entry 7208876

7208875 << 7208876 >> 7208877

Preview

Coordinates	7208876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Cl22 Cu16 N6
Calculated formula	C18 H42 Cl22 Cu16 N6
Title of publication	Hydrothermal synthesis and structural characterisation of [H2DABCO]3[Cu16Cl22]: a new copper(i) chloride framework
Authors of publication	Williams, Edward R.; Weller, Mark T.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	1
Pages of publication	31
a	12.8722 ± 0.0005 Å
b	12.9237 ± 0.0004 Å
c	29.641 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4931 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180419 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/88.	7208876.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208876.cif
73535	2013-02-20	cif/ Adding structures of 7208876 via cif-deposit CGI script.	7208876.cif