Crystallography Open Database

Information card for entry 7004382

Preview

Coordinates	7004382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 Cl N4 Si4 Y
Calculated formula	C42 H58 Cl N4 Si4 Y
SMILES	[Y]12(Cl)([N]([Si](C)(C)C)=C(C=C(N1[Si](C)(C)C)c1ccccc1)c1ccccc1)[N]([Si](C)(C)C)=C(C=C(N2[Si](C)(C)C)c1ccccc1)c1ccccc1
Title of publication	Syntheses, structures and reactions of a series of β-diketiminatoyttrium compounds
Authors of publication	Wei, Xuehong; Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	38
Pages of publication	5235 - 5246
a	11.8676 ± 0.0002 Å
b	12.4721 ± 0.0002 Å
c	15.7658 ± 0.0003 Å
α	84.567 ± 0.001°
β	86.136 ± 0.001°
γ	89.915 ± 0.001°
Cell volume	2317.77 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0416
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7004382.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004382.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004382.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004382.cif