Crystallography Open Database

Information card for entry 4332153

Preview

Coordinates	4332153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 O4 W
Calculated formula	C38 H34 O4 W
SMILES	[W]1234([O]=C(C=C(O1)C)C)([O]=C(C=C(O2)C)C)(C(=C3c1ccccc1)c1ccccc1)C(=C4c1ccccc1)c1ccccc1
Title of publication	Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes
Authors of publication	Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	16
Pages of publication	6205 - 6213
a	9.5452 ± 0.0002 Å
b	9.8972 ± 0.0002 Å
c	16.9294 ± 0.0004 Å
α	98.517 ± 0.001°
β	91.869 ± 0.001°
γ	91.631 ± 0.001°
Cell volume	1579.96 ± 0.06 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0139
Weighted residual factors for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0343
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179424 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/21.	4332153.cif
98118	2014-01-29	cif/ Adding structures of 4332153 via cif-deposit CGI script.	4332153.cif