Crystallography Open Database

Information card for entry 7714547

Preview

Coordinates	7714547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N3 O Si Yb
Calculated formula	C36 H52 N3 O Si Yb
SMILES	[Yb]123([O]4C(Cn5c3c(CCN2C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c5cccc1)CCC4)C[Si](C)(C)C
Title of publication	Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.
Authors of publication	Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	267 - 275
a	11.0453 ± 0.0014 Å
b	11.5867 ± 0.0015 Å
c	14.7165 ± 0.0019 Å
α	87.403 ± 0.002°
β	81.877 ± 0.002°
γ	79.435 ± 0.002°
Cell volume	1832.5 ± 0.4 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
289467 (current)	2024-02-04	cif/ Updating files of 7714545, 7714546, 7714547, 7714548, 7714549, 7714550, 7714551, 7714552 Original log message: Adding full bibliography for 7714545--7714552.cif.	7714547.cif
287794	2023-11-25	cif/ Adding structures of 7714545, 7714546, 7714547, 7714548, 7714549, 7714550, 7714551, 7714552 via cif-deposit CGI script.	7714547.cif