Crystallography Open Database

Information card for entry 7709351

Preview

Coordinates	7709351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H152 Cl Li N9 Nd3 O7 Si6
Calculated formula	C97 H152 Cl Li N9 Nd3 O7 Si6
SMILES	[Nd]1234([Cl]5[Nd]67([O]1C(=[N]6c1c(cccc1C(C)C)C(C)C)c1n3c3c(c1)cccc3)([O]1[Nd]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 and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane
Authors of publication	Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong
Journal of publication	Dalton Transactions
Year of publication	2022
a	19.8695 ± 0.0014 Å
b	20.1675 ± 0.0014 Å
c	21.5072 ± 0.0015 Å
α	68.2219 ± 0.001°
β	84.2175 ± 0.001°
γ	61.4812 ± 0.0009°
Cell volume	7001.2 ± 0.9 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	0.1627
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
272216 (current)	2022-01-25	cif/ Adding structures of 7709351, 7709352, 7709353, 7709354, 7709355, 7709356, 7709357 via cif-deposit CGI script.	7709351.cif