Crystallography Open Database

Information card for entry 7047830

Preview

Coordinates	7047830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Br Cu N3 O
Calculated formula	C15 H18 Br Cu N3 O
Title of publication	Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents.
Authors of publication	Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	46
Pages of publication	16747 - 16754
a	14.8335 ± 0.0005 Å
b	13.3212 ± 0.0004 Å
c	16.1662 ± 0.0005 Å
α	90°
β	101.822 ± 0.001°
γ	90°
Cell volume	3126.68 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
229651 (current)	2019-11-17	cif/ Updating files of 7047827, 7047828, 7047829, 7047830 Original log message: Adding full bibliography for 7047827--7047830.cif.	7047830.cif
211555	2018-10-20	cif/ Adding structures of 7047827, 7047828, 7047829, 7047830 via cif-deposit CGI script.	7047830.cif