Crystallography Open Database

Information card for entry 4084827

Preview

Coordinates	4084827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H97 N5 O2 Y
Calculated formula	C56 H90 N5 O2 Y
Title of publication	Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one
Authors of publication	Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6803
a	12.0354 ± 0.0004 Å
b	12.2623 ± 0.0007 Å
c	22.059 ± 0.002 Å
α	87.832 ± 0.01°
β	79.535 ± 0.008°
γ	62.203 ± 0.006°
Cell volume	2827.8 ± 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	0.1543
Residual factor for significantly intense reflections	0.1089
Weighted residual factors for significantly intense reflections	0.2491
Weighted residual factors for all reflections included in the refinement	0.2843
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
178737 (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 4/08/48.	4084827.cif
131490	2015-02-08	cif/ Updating files of 4084826, 4084827, 4084828, 4084829 Original log message: Adding full bibliography for 4084826--4084829.cif.	4084827.cif
127752	2014-11-21	cif/ Adding structures of 4084826, 4084827, 4084828, 4084829 via cif-deposit CGI script.	4084827.cif