Crystallography Open Database

Information card for entry 7228445

Preview

Coordinates	7228445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H72 Lu N5
Calculated formula	C57 H72 Lu N5
SMILES	[N]1(c2c(cccc2)C[Lu]231([N](=C(N(Cc1ccccc1)Cc1ccccc1)N2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](c1c(C3)cccc1)(C)C)(C)C
Title of publication	Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes
Authors of publication	Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	47
Pages of publication	29752
a	24.986 ± 0.007 Å
b	24.986 ± 0.007 Å
c	47.359 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	25605 ± 11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
197643 (current)	2017-06-08	cif/ Adding structures of 7228435, 7228436, 7228437, 7228438, 7228439, 7228440, 7228441, 7228442, 7228443, 7228444, 7228445, 7228446 via cif-deposit CGI script.	7228445.cif