Crystallography Open Database

Information card for entry 7054824

Preview

Coordinates	7054824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 N2
Calculated formula	C21 H28 N2
Title of publication	Synthesis and catalytic activity of homoleptic lanthanide-tris(cyclopropylethinyl)amidinates
Authors of publication	Sroor, Farid M.; Hrib, Cristian G.; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7595
a	9.7257 ± 0.0019 Å
b	10.383 ± 0.002 Å
c	10.558 ± 0.002 Å
α	70.77 ± 0.03°
β	65.92 ± 0.03°
γ	70.83 ± 0.03°
Cell volume	895.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0717
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1512
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.	7054824.cif
162097	2015-10-09	cif/ Updating files of 7054823, 7054824 Original log message: Adding full bibliography for 7054823--7054824.cif.	7054824.cif
135965	2015-05-09	cif/ Adding structures of 7054823, 7054824 via cif-deposit CGI script.	7054824.cif