Crystallography Open Database

Information card for entry 7057702

Preview

Coordinates	7057702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Cl2 Cu N8
Calculated formula	C28 H24 Cl2 Cu N8
Title of publication	Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds
Authors of publication	Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	19
Pages of publication	16335
a	11.3032 ± 0.0007 Å
b	12.7346 ± 0.0008 Å
c	9.8024 ± 0.0005 Å
α	90°
β	108.759 ± 0.004°
γ	90°
Cell volume	1336.02 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 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	0.0959
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230322 (current)	2019-11-17	cif/ Updating files of 7057702, 7057703, 7057704, 7057705, 7057706 Original log message: Adding full bibliography for 7057702--7057706.cif.	7057702.cif
210380	2018-09-04	cif/ Adding structures of 7057702, 7057703, 7057704, 7057705, 7057706 via cif-deposit CGI script.	7057702.cif