Crystallography Open Database

Information card for entry 4324904

Preview

Coordinates	4324904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H99 N2 O3 Y
Calculated formula	C65 H99 N2 O3 Y
Title of publication	Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group
Authors of publication	Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3729 - 3737
a	14.2961 ± 0.0004 Å
b	14.8441 ± 0.0005 Å
c	15.7236 ± 0.0006 Å
α	79.534 ± 0.005°
β	75.579 ± 0.005°
γ	71.112 ± 0.004°
Cell volume	3039 ± 0.2 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	0.0844
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179352 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/49.	4324904.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324904.cif
43355	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324904 via cif-deposit CGI script.	4324904.cif