Crystallography Open Database

Information card for entry 4331582

Preview

Coordinates	4331582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 N5 O2 Si2 W
Calculated formula	C30 H37 N5 O2 Si2 W
SMILES	[W]123(=Nc4ccccc4)(O[C@@H]([C@@H](O1)c1[n]2cccc1)c1ncccc1)N([Si](C)(C)C)c1c(N3[Si](C)(C)C)cccc1
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	30.2668 ± 0.0015 Å
b	30.2668 ± 0.0015 Å
c	13.6276 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	12484 ± 1.1 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.1001
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
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.	4331582.cif
97718	2014-01-29	cif/ Adding structures of 4331577, 4331578, 4331579, 4331580, 4331581, 4331582, 4331583 via cif-deposit CGI script.	4331582.cif