Crystallography Open Database

Information card for entry 7228437

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Structure parameters

Formula	C114 H144 N10 S4 Y2
Calculated formula	C114 H144 N10 S4 Y2
SMILES	[Y]1234([S](Cc5c(N(C)C)cccc5)[Y]5([S]1Cc1c(N(C)C)cccc1)([S]2Cc1c(N(C)C)cccc1)([S]3Cc1c(N(C)C)cccc1)[N](=C(N5c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N4c1c(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	15.488 ± 0.002 Å
b	23.909 ± 0.003 Å
c	31.418 ± 0.004 Å
α	90°
β	98.781 ± 0.002°
γ	90°
Cell volume	11498 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0915
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7228437.cif
197643	2017-06-08	cif/ Adding structures of 7228435, 7228436, 7228437, 7228438, 7228439, 7228440, 7228441, 7228442, 7228443, 7228444, 7228445, 7228446 via cif-deposit CGI script.	7228437.cif