Crystallography Open Database

Information card for entry 7228435

Preview

Coordinates	7228435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H82 Lu N7 S2
Calculated formula	C71 H82 Lu N7 S2
SMILES	[Lu]123(SC(=[N]2c2ccccc2)Cc2ccccc2N(C)C)(SC(=[N]3c2ccccc2)Cc2ccccc2N(C)C)[N](=C(N(Cc2ccccc2)Cc2ccccc2)N1c1c(cccc1C(C)C)C(C)C)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	10.95 ± 0.004 Å
b	14.31 ± 0.005 Å
c	22.145 ± 0.007 Å
α	106.075 ± 0.004°
β	93.766 ± 0.004°
γ	98.308 ± 0.004°
Cell volume	3279 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.053
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7228435.cif