Crystallography Open Database

Information card for entry 7714546

Preview

Coordinates	7714546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Gd N3 O Si
Calculated formula	C36 H52 Gd N3 O Si
SMILES	[Gd]123([O]4C(Cn5c6c(c(CCN1C(=CC(=[N]2c1c(C(C)C)cccc1C(C)C)C)C)c35)cccc6)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	12.8562 ± 0.0012 Å
b	20.653 ± 0.002 Å
c	14.1698 ± 0.0013 Å
α	90°
β	93.444 ± 0.001°
γ	90°
Cell volume	3755.6 ± 0.6 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7714546.cif
287794	2023-11-25	cif/ Adding structures of 7714545, 7714546, 7714547, 7714548, 7714549, 7714550, 7714551, 7714552 via cif-deposit CGI script.	7714546.cif