Crystallography Open Database

Information card for entry 1569615

Preview

Coordinates	1569615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H124 Al N8 Y2
Calculated formula	C104 H124 Al N8 Y2
SMILES	[Y]123456([CH3][Y]78([N](c9c(cccc9C(C)C)C(C)C)=C(N7c7c(cccc7C(C)C)C(C)C)N(Cc7ccccc7)Cc7ccccc7)[N]5=[C]3([C]2=[C]1(c1ccccc1)[N]68[Al](C)(C)C)c1ccccc1)[N](c1c(cccc1C(C)C)C(C)C)=C(N4c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1.Cc1ccccc1
Title of publication	A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.
Authors of publication	Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	34
Pages of publication	9154 - 9160
a	12.1633 ± 0.0005 Å
b	18.7824 ± 0.0006 Å
c	22.3511 ± 0.0008 Å
α	105.924 ± 0.002°
β	103.097 ± 0.002°
γ	102.186 ± 0.002°
Cell volume	4574.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.01 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	0.0987
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286069 (current)	2023-09-05	cif/ Updating files of 1569608, 1569609, 1569610, 1569611, 1569612, 1569613, 1569614, 1569615 Original log message: Adding full bibliography for 1569608--1569615.cif.	1569615.cif
285438	2023-08-04	cif/ Adding structures of 1569608, 1569609, 1569610, 1569611, 1569612, 1569613, 1569614, 1569615 via cif-deposit CGI script.	1569615.cif