Crystallography Open Database

Information card for entry 4030999

Preview

Coordinates	4030999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cl3 N2 Ru
Calculated formula	C29 H29 Cl3 N2 Ru
Title of publication	Ru(II)-Catalyzed β-Carboline Directed C-H Arylation and Isolation of Its Cycloruthenated Intermediates.
Authors of publication	Rajkumar, Subramani; Karthik, Shanmugam; Gandhi, Thirumanavelan
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	11
Pages of publication	5532 - 5545
a	10.8246 ± 0.0006 Å
b	10.8803 ± 0.0007 Å
c	13.0456 ± 0.0008 Å
α	94.704 ± 0.003°
β	112.232 ± 0.002°
γ	104.549 ± 0.003°
Cell volume	1349.47 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4030999.cif
140169	2015-07-05	cif/ Updating files of 4030999 Original log message: Adding full bibliography for 4030999.cif.	4030999.cif
136817	2015-05-18	cif/ Adding structures of 4030999 via cif-deposit CGI script.	4030999.cif