Crystallography Open Database

Information card for entry 1570852

Preview

Coordinates	1570852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H82 Al2 N3 Y
Calculated formula	C51 H81.5 Al2 N5 Y
SMILES	[Y]12([CH2]([Al](CC)(CC)CC)[CH2]1[Al](CC)(CC)CC)[N](=C(N(Cc1ccccc1)Cc1ccccc1)N2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Rare-earth metal ethylene and ethyne complexes.
Authors of publication	Jiang, Wen; Rajeshkumar, Thayalan; Guo, Mengyue; Lin, Yuejian; Maron, Laurent; Zhang, Lixin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	10
Pages of publication	3495 - 3501
a	21.3577 ± 0.0008 Å
b	11.1948 ± 0.0004 Å
c	21.482 ± 0.0009 Å
α	90°
β	90.068 ± 0.002°
γ	90°
Cell volume	5136.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
299904 (current)	2025-06-02	cif/1: Fixing Z values and formulae	1570852.cif
290839	2024-04-05	cif/ Updating files of 1570851, 1570852, 1570853, 1570854, 1570855, 1570856 Original log message: Adding full bibliography for 1570851--1570856.cif.	1570852.cif
289241	2024-02-01	cif/ Adding structures of 1570851, 1570852, 1570853, 1570854, 1570855, 1570856 via cif-deposit CGI script.	1570852.cif