Crystallography Open Database

Information card for entry 7045439

Preview

Coordinates	7045439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 Cu N4 O3 S2
Calculated formula	C36 H50 Cu1.002 N4 O3 S2
Title of publication	N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.
Authors of publication	Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	8
Pages of publication	2719 - 2726
a	10.5648 ± 0.0007 Å
b	11.9358 ± 0.0008 Å
c	15.2248 ± 0.001 Å
α	79.683 ± 0.001°
β	72.251 ± 0.001°
γ	84.015 ± 0.001°
Cell volume	1796.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
229405 (current)	2019-11-17	cif/ Updating files of 7045439, 7045440, 7045441, 7045442 Original log message: Adding full bibliography for 7045439--7045442.cif.	7045439.cif
205864	2018-01-30	cif/ Adding structures of 7045439, 7045440, 7045441, 7045442 via cif-deposit CGI script.	7045439.cif