Crystallography Open Database

Information card for entry 7220740

7220739 << 7220740 >> 7220741

Preview

Coordinates	7220740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H94 N5 O3 Si2 Y
Calculated formula	C55 H92 N5 O3 Si2 Y
SMILES	[Y]123([N]4(Cc5c(O2)c(cc(c5)C(C)(C)C)C(C)(C)C)CCN(Cc2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)C4)([N](=C(N1C(C)C)N([Si](C)C)[Si](C)C)C(C)C)[O]1CCCC1.c1(ccccc1)C
Title of publication	Synthesis and characterization of rare-earth metal guanidinates stabilized by amine-bridged bis(phenolate) ligands and their application in the controlled polymerization of rac-lactide and rac-β-butyrolactone
Authors of publication	Zeng, Tinghua; Qian, Qinqin; Zhao, Bei; Yuan, Dan; Yao, Yingming; Shen, Qi
Journal of publication	RSC Adv.
Year of publication	2015
a	12.0592 ± 0.0016 Å
b	16.234 ± 0.002 Å
c	30.021 ± 0.004 Å
α	90°
β	90.787 ± 0.004°
γ	90°
Cell volume	5876.6 ± 1.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1677
Residual factor for significantly intense reflections	0.122
Weighted residual factors for significantly intense reflections	0.3109
Weighted residual factors for all reflections included in the refinement	0.3494
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
139037 (current)	2015-06-10	cif/ Adding structures of 7220738, 7220739, 7220740, 7220741 via cif-deposit CGI script.	7220740.cif