Crystallography Open Database

Information card for entry 7041137

Preview

Coordinates	7041137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.75 H28.75 Br2 Cl2 N4 Zn
Calculated formula	C30.68 H28.68 Br2 Cl2.04 N4 Zn
Title of publication	Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.
Authors of publication	Cametti, Massimo; Martí-Rujas, Javier
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	47
Pages of publication	18832 - 18837
a	14.6557 ± 0.001 Å
b	22.6968 ± 0.0016 Å
c	10.1625 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3380.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1885
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190214 (current)	2017-01-09	cif/ Updating files of 7041137, 7041138, 7041139, 7041140, 7041141, 7041142, 7041143 Original log message: Adding full bibliography for 7041137--7041143.cif.	7041137.cif
188030	2016-11-08	cif/ Adding structures of 7041137, 7041138, 7041139, 7041140, 7041141, 7041142, 7041143 via cif-deposit CGI script.	7041137.cif