Crystallography Open Database

Information card for entry 7022039

7022038 << 7022039 >> 7022040

Preview

Coordinates	7022039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H92 Cl2 N4 O4 Si4 Y2
Calculated formula	C68 H92 Cl2 N4 O4 Si4 Y2
SMILES	c12ccc3c(c1c1c(ccc4ccccc14)N([Si](C)(C)C)[Y]1(N2[Si](C)(C)C)([Cl][Y]2(N([Si](C)(C)C)c4ccc5ccccc5c4c4c(ccc5ccccc45)N2[Si](C)(C)C)([O]2CCCC2)([Cl]1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)cccc3
Title of publication	LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.
Authors of publication	Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	2
Pages of publication	507 - 520
a	11.6878 ± 0.0009 Å
b	29.465 ± 0.003 Å
c	20.484 ± 0.002 Å
α	90°
β	100.581 ± 0.002°
γ	90°
Cell volume	6934.4 ± 1.1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1694
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2552
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022039.cif
89950	2013-11-17	cif/ Adding structures of 7022036, 7022037, 7022038, 7022039, 7022040 via cif-deposit CGI script.	7022039.cif