Crystallography Open Database

Information card for entry 7228440

Preview

Coordinates	7228440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 N3
Calculated formula	C39 H48 N3
SMILES	N(C(=N\c1c(cccc1C(C)C)C(C)C)\N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)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	10.323 ± 0.008 Å
b	10.93 ± 0.008 Å
c	16.132 ± 0.012 Å
α	79.031 ± 0.007°
β	82.038 ± 0.009°
γ	82.388 ± 0.009°
Cell volume	1759 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7228440.cif