Crystallography Open Database

Information card for entry 4506857

Preview

Coordinates	4506857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl Cu N6 O
Calculated formula	C18 H16 Cl Cu N6 O
Title of publication	Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies
Authors of publication	Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	5025
a	8.253 ± 0.003 Å
b	8.374 ± 0.005 Å
c	12.733 ± 0.004 Å
α	85.951 ± 0.005°
β	79.422 ± 0.007°
γ	77.99 ± 0.005°
Cell volume	845.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179604 (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 4/50/68.	4506857.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506857.cif
71844	2013-01-21	cif/ Adding structures of 4506852, 4506853, 4506854, 4506855, 4506856, 4506857 via cif-deposit CGI script.	4506857.cif