Crystallography Open Database

Information card for entry 4506468

Preview

Coordinates	4506468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 Cd2 Cl2 N5 O2
Calculated formula	C6 H7 Cd2 Cl2 N5 O2
Title of publication	Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer
Authors of publication	Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	3825
a	7.1323 ± 0.0008 Å
b	13.0072 ± 0.0015 Å
c	24.302 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2254.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation probe	x-ray
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
179600 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/64.	4506468.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506468.cif
66189	2012-09-09	cif/ Adding structures of 4506468 via cif-deposit CGI script.	4506468.cif