Crystallography Open Database

Information card for entry 7041413

Preview

Coordinates	7041413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H43 Cu N2 O3 Si
Calculated formula	C42 H43 Cu N2 O3 Si
SMILES	[Cu](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C
Title of publication	Synthesis and characterization of phosphorescent two-coordinate copper(i) complexes bearing diamidocarbene ligands.
Authors of publication	Shi, Shuyang; Collins, Lee R.; Mahon, Mary F.; Djurovich, Peter I.; Thompson, Mark E.; Whittlesey, Michael K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	3
Pages of publication	745 - 752
a	17.489 ± 0.0003 Å
b	8.991 ± 0.0002 Å
c	24.507 ± 0.0006 Å
α	90°
β	106.838 ± 0.001°
γ	90°
Cell volume	3688.36 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
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	0.0616
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1038
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191642 (current)	2017-02-04	cif/ Updating files of 7041412, 7041413 Original log message: Adding full bibliography for 7041412--7041413.cif.	7041413.cif
189091	2016-12-13	cif/ Adding structures of 7041412, 7041413 via cif-deposit CGI script.	7041413.cif