Crystallography Open Database

Information card for entry 7046200

Preview

Coordinates	7046200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 Cu F6 N9 O6 S2
Calculated formula	C32 H31 Cu F6 N9 O6 S2
Title of publication	Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.
Authors of publication	Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10491 - 10508
a	14.1878 ± 0.0005 Å
b	13.3086 ± 0.0005 Å
c	40.4807 ± 0.0013 Å
α	90°
β	90.608 ± 0.003°
γ	90°
Cell volume	7643.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2448
Weighted residual factors for all reflections included in the refinement	0.2638
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
229833 (current)	2019-11-17	cif/ Updating files of 7046189, 7046190, 7046191, 7046192, 7046193, 7046194, 7046195, 7046196, 7046197, 7046198, 7046199, 7046200 Original log message: Adding full bibliography for 7046189--7046200.cif.	7046200.cif
207598	2018-05-01	cif/ Adding structures of 7046189, 7046190, 7046191, 7046192, 7046193, 7046194, 7046195, 7046196, 7046197, 7046198, 7046199, 7046200 via cif-deposit CGI script.	7046200.cif