Crystallography Open Database

Information card for entry 7042734

Preview

Coordinates	7042734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H148 N6 O6 Yb3
Calculated formula	C128 H148 N6 O6 Yb3
SMILES	[N]1(=C([O]2[Yb]345([O]6C(=[N](c7c(cccc7C(C)C)C(C)C)[Yb]7126[N](=C(c1ccccc1)[O]57)c1c(cccc1C(C)C)C(C)C)c1ccccc1)[O]1C(=[N](c2c(cccc2C(C)C)C(C)C)[Yb]251([N](=C([O]42)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C([O]35)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1ccccc1C.c1(ccccc1)C.c1ccccc1C
Title of publication	An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction
Authors of publication	Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming
Journal of publication	Dalton Trans.
Year of publication	2017
a	13.9951 ± 0.0004 Å
b	21.5347 ± 0.0007 Å
c	23.3361 ± 0.0008 Å
α	70.496 ± 0.003°
β	80.596 ± 0.003°
γ	79.095 ± 0.003°
Cell volume	6471.5 ± 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	0.0594
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
208944 (current)	2018-07-10	Fixing several Z values and formula	7042734.cif
195644	2017-04-21	cif/ Adding structures of 7042733, 7042734, 7042735, 7042736 via cif-deposit CGI script.	7042734.cif