Crystallography Open Database

Information card for entry 7700205

Preview

Coordinates	7700205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 Cu N2 S2
Calculated formula	C33 H39 Cu N2 S2
Title of publication	Synthesis of copper(i) cyclic (alkyl)(amino)carbene complexes with potentially bidentate N^N, N^S and S^S ligands for efficient white photoluminescence.
Authors of publication	Romanov, Alexander S.; Chotard, Florian; Rashid, Jahan; Bochmann, Manfred
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	41
Pages of publication	15445 - 15454
a	15.6402 ± 0.0004 Å
b	10.5052 ± 0.0003 Å
c	18.504 ± 0.0004 Å
α	90°
β	95.757 ± 0.002°
γ	90°
Cell volume	3024.94 ± 0.13 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0435
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223890 (current)	2019-11-07	cif/ Updating files of 7700205, 7700206, 7700207 Original log message: Adding full bibliography for 7700205--7700207.cif.	7700205.cif
215771	2019-06-08	cif/ Adding structures of 7700205, 7700206, 7700207 via cif-deposit CGI script.	7700205.cif