Crystallography Open Database

Information card for entry 7711324

Preview

Coordinates	7711324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 N Sc Si3
Calculated formula	C32 H64 N Sc Si3
SMILES	[Sc](=C1N(c2c(cccc2C(C)C)C(C)C)C(CC1(C)C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes
Authors of publication	Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang
Journal of publication	Dalton Transactions
Year of publication	2022
a	21.2782 ± 0.0004 Å
b	17.1989 ± 0.0003 Å
c	41.7376 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	15274.4 ± 0.5 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
278138 (current)	2022-09-24	cif/ Adding structures of 7711320, 7711321, 7711322, 7711323, 7711324, 7711325, 7711326, 7711327, 7711328, 7711329 via cif-deposit CGI script.	7711324.cif