Crystallography Open Database

Information card for entry 7700206

Preview

Coordinates	7700206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H66 Cu N3
Calculated formula	C45 H66 Cu N3
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	11.8424 ± 0.0002 Å
b	13.8008 ± 0.0004 Å
c	15.1018 ± 0.0004 Å
α	110.681 ± 0.002°
β	93.732 ± 0.002°
γ	111.814 ± 0.002°
Cell volume	2088.29 ± 0.11 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7700206.cif
215771	2019-06-08	cif/ Adding structures of 7700205, 7700206, 7700207 via cif-deposit CGI script.	7700206.cif