Crystallography Open Database

Information card for entry 4331583

Preview

Coordinates	4331583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H49 N4 O P Si2 W
Calculated formula	C34 H49 N4 O P Si2 W
SMILES	[W]12(=Nc3ccccc3)([O]=[CH]2c2ccc(cc2)C)(N([Si](C)(C)C)c2ccccc2N1[Si](C)(C)C)([P](C)(C)C)[n]1ccccc1
Title of publication	Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex
Authors of publication	Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	25
Pages of publication	9506 - 9517
a	20.1063 ± 0.0009 Å
b	12.3263 ± 0.0005 Å
c	29.9886 ± 0.0013 Å
α	90°
β	103.343 ± 0.001°
γ	90°
Cell volume	7231.6 ± 0.5 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	7
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	0.0505
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179418 (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 4/33/15.	4331583.cif
97718	2014-01-29	cif/ Adding structures of 4331577, 4331578, 4331579, 4331580, 4331581, 4331582, 4331583 via cif-deposit CGI script.	4331583.cif