Crystallography Open Database

Information card for entry 4080172

Preview

Coordinates	4080172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H88 N4 Sc
Calculated formula	C54 H88 N4 Sc
Title of publication	Synthesis and Reactivity of a Terminal Scandium Imido Complex
Authors of publication	Chu, Terry; Piers, Warren E.; Dutton, Jason L.; Parvez, Masood
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1159
a	21.146 ± 0.004 Å
b	18.933 ± 0.004 Å
c	27.182 ± 0.005 Å
α	90°
β	109.01 ± 0.03°
γ	90°
Cell volume	10289 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0737
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080172.cif
85865	2013-05-07	cif/ Adding structures of 4080172, 4080173 via cif-deposit CGI script.	4080172.cif