Crystallography Open Database

Information card for entry 7710929

Preview

Coordinates	7710929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H152 Cl Gd3 Li N9 O7 Si6
Calculated formula	C97 H152 Cl Gd3 Li N9 O7 Si6
SMILES	[Gd]1234([Cl]5[Gd]67([O]1C(=[N]6c1c(cccc1C(C)C)C(C)C)c1n3c3c(c1)cccc3)([O]1[Gd]35([O]2C(=[N]4c2c(cccc2C(C)C)C(C)C)c2n3c3c(c2)cccc3)([N](=C1c1n7c2c(c1)cccc2)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
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
Year of publication	2022
a	19.8493 ± 0.0016 Å
b	20.2615 ± 0.0017 Å
c	21.6207 ± 0.0018 Å
α	67.224 ± 0.001°
β	83.793 ± 0.001°
γ	61.753 ± 0.001°
Cell volume	7032.3 ± 1 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1749
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
277159 (current)	2022-08-09	cif/ Adding structures of 7710928, 7710929, 7710930, 7710931, 7710932, 7710933, 7710934 via cif-deposit CGI script.	7710929.cif