Crystallography Open Database

Information card for entry 7053072

Preview

Coordinates	7053072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H54 N3 Sc Si5
Calculated formula	C22.92 H33 N2.99 Sc Si4.98
Title of publication	Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene
Authors of publication	Luo, Yunjie; Chi, Shuhui; Chen, Jue
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	9
Pages of publication	2675
a	10.7456 ± 0.0016 Å
b	10.7843 ± 0.0013 Å
c	16.231 ± 0.002 Å
α	108.818 ± 0.006°
β	93.485 ± 0.008°
γ	94.941 ± 0.01°
Cell volume	1765.9 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.115
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2222
Weighted residual factors for all reflections included in the refinement	0.2485
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053072.cif
87710	2013-08-27	cif/ Adding structures of 7053069, 7053070, 7053071, 7053072, 7053073, 7053074 via cif-deposit CGI script.	7053072.cif