Crystallography Open Database

Information card for entry 7228438

Preview

Coordinates	7228438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H82 N7 S2 Y
Calculated formula	C71 H82 N7 S2 Y
SMILES	C1(N(Cc2ccccc2)Cc2ccccc2)=[N](c2c(cccc2C(C)C)C(C)C)[Y]23([N](=C(S2)Cc2ccccc2N(C)C)c2ccccc2)(N1c1c(cccc1C(C)C)C(C)C)[N](=C(S3)Cc1ccccc1N(C)C)c1ccccc1
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	13.05 ± 0.002 Å
b	26.302 ± 0.005 Å
c	19.537 ± 0.004 Å
α	90°
β	104.17 ± 0.003°
γ	90°
Cell volume	6502 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7228438.cif