Crystallography Open Database

Information card for entry 7122647

Preview

Coordinates	7122647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Mg2
Calculated formula	C40 H52 Mg2
Title of publication	[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.
Authors of publication	Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	98
Pages of publication	13798 - 13801
a	8.3199 ± 0.0003 Å
b	9.8137 ± 0.0003 Å
c	11.2729 ± 0.0003 Å
α	69.434 ± 0.003°
β	87.336 ± 0.003°
γ	78.887 ± 0.003°
Cell volume	845.38 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
228258 (current)	2019-11-17	cif/ Updating files of 7122642, 7122643, 7122644, 7122645, 7122646, 7122647, 7122648, 7122649, 7122650, 7122651, 7122652 Original log message: Adding full bibliography for 7122642--7122652.cif.	7122647.cif
212184	2018-11-27	cif/ Adding structures of 7122642, 7122643, 7122644, 7122645, 7122646, 7122647, 7122648, 7122649, 7122650, 7122651, 7122652 via cif-deposit CGI script.	7122647.cif