Crystallography Open Database

Information card for entry 7711325

Preview

Coordinates	7711325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H70 I3 N2 Y
Calculated formula	C47 H70 I3 N2 Y
SMILES	I[Y](I)(I)(=C1N(c2c(C(C)C)cccc2C(C)C)C(CC1(C)C)(C)C)=C1N(c2c(C(C)C)cccc2C(C)C)C(CC1(C)C)(C)C.Cc1ccccc1
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	18.3616 ± 0.0004 Å
b	13.3428 ± 0.0003 Å
c	19.9386 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4884.9 ± 0.2 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7711325.cif