Crystallography Open Database

Information card for entry 7041139

Preview

Coordinates	7041139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14.5 Cl2.5 N2 Zn0.5
Calculated formula	C16 H14.5 Cl2.5 N2 Zn0.5
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	14.7372 ± 0.0011 Å
b	22.7121 ± 0.0016 Å
c	9.9658 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3335.7 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0967
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.2599
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7041139.cif
188030	2016-11-08	cif/ Adding structures of 7041137, 7041138, 7041139, 7041140, 7041141, 7041142, 7041143 via cif-deposit CGI script.	7041139.cif