Crystallography Open Database

Information card for entry 7700207

Preview

Coordinates	7700207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H71 Cu N4
Calculated formula	C47 H71 Cu N4
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	14.3631 ± 0.0004 Å
b	17.2867 ± 0.0004 Å
c	18.3895 ± 0.0005 Å
α	90°
β	102.166 ± 0.003°
γ	90°
Cell volume	4463.4 ± 0.2 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
223890 (current)	2019-11-07	cif/ Updating files of 7700205, 7700206, 7700207 Original log message: Adding full bibliography for 7700205--7700207.cif.	7700207.cif
215771	2019-06-08	cif/ Adding structures of 7700205, 7700206, 7700207 via cif-deposit CGI script.	7700207.cif