Crystallography Open Database

Information card for entry 7222307

Preview

Coordinates	7222307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 K N4 Nd O5
Calculated formula	C72 H108 K N4 Nd O5
SMILES	[Nd]1234(Oc5c(cc(cc5CN5CCCN(C=35)Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]1[K]([O]2c2c(CN3CCCN(Cc5c1c(cc(c5)C(C)(C)C)C(C)(C)C)C=43)cc(cc2C(C)(C)C)C(C)(C)C)[O]1CCCC1
Title of publication	Bis(phenolate) N-Heterocyclic Carbene Rare Earth Metal Complexes: Synthesis, characterization and Applications in the Polymerization of n-Hexyl Isocyanate
Authors of publication	Zhang, min; Zhang, Jingjing; NI, Xufeng; Shen, Zhiquan
Journal of publication	RSC Adv.
Year of publication	2015
a	15.5124 ± 0.0005 Å
b	18.0557 ± 0.0006 Å
c	26.2035 ± 0.0009 Å
α	90°
β	100.873 ± 0.003°
γ	90°
Cell volume	7207.5 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0703
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
158424 (current)	2015-09-26	cif/ Adding structures of 7222307 via cif-deposit CGI script.	7222307.cif