Crystallography Open Database

Information card for entry 4088076

Preview

Coordinates	4088076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H51 N2 O Si4 Sm
Calculated formula	C22 H51 N2 O Si4 Sm
SMILES	[Sm]1234(N([SiH](C)C)[SiH](C)C)([O]5CCCC5)(N([SiH](C)C)[SiH](C)C)[c]5([c]1([c]2([c]4([c]35C)C)C)C)C
Title of publication	Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
Authors of publication	Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5734
a	10.2768 ± 0.0007 Å
b	20.9232 ± 0.0014 Å
c	14.4697 ± 0.001 Å
α	90°
β	96.958 ± 0.001°
γ	90°
Cell volume	3088.4 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.0177
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
237248 (current)	2019-11-24	cif/ Adding structures of 4088073, 4088074, 4088075, 4088076, 4088077, 4088078, 4088079, 4088080, 4088081, 4088082, 4088083, 4088084, 4088085, 4088086, 4088087 via cif-deposit CGI script.	4088076.cif