Crystallography Open Database

Information card for entry 7223410

Preview

Coordinates	7223410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 Cl5 N2 Zn
Calculated formula	C7 H15 Cl5 N2 Zn
SMILES	[Zn](Cl)(Cl)([Cl-])[Cl-].[N+]12(CCl)CC[NH+](CC1)CC2
Title of publication	Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)
Authors of publication	Chen, Chun-Hong; Xu, Guan-Cheng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	4
Pages of publication	550
a	10.0664 ± 0.0017 Å
b	12.075 ± 0.002 Å
c	11.0158 ± 0.0019 Å
α	90°
β	91.262 ± 0.002°
γ	90°
Cell volume	1338.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
175947 (current)	2016-02-05	cif/ Updating files of 7223407, 7223408, 7223409, 7223410 Original log message: Adding full bibliography for 7223407--7223410.cif.	7223410.cif
170709	2015-12-04	cif/ Adding structures of 7223407, 7223408, 7223409, 7223410 via cif-deposit CGI script.	7223410.cif