Crystallography Open Database

Information card for entry 7711416

Preview

Coordinates	7711416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H65 N4 O Si Y
Calculated formula	C39 H65 N4 O Si Y
SMILES	[Y]12(Nc3c(C(C)C)cccc3C(C)C)([N](=C(C=C(N2CC[N]13CCOCC3)C)C)c1c(C(C)C)cccc1C(C)C)C[Si](C)(C)C
Title of publication	Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.
Authors of publication	Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	35
Pages of publication	13227 - 13235
a	11.1438 ± 0.0011 Å
b	11.2147 ± 0.0012 Å
c	21.504 ± 0.002 Å
α	86.101 ± 0.002°
β	84.965 ± 0.002°
γ	69.876 ± 0.001°
Cell volume	2511.6 ± 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	0.1242
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
278362 (current)	2022-10-05	cif/ Adding structures of 7711414, 7711415, 7711416, 7711417, 7711418, 7711419, 7711420 via cif-deposit CGI script.	7711416.cif