Crystallography Open Database

Information card for entry 4331581

Preview

Coordinates	4331581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H49 Cl N4 O Si2 W
Calculated formula	C31.5 H49 Cl N4 O Si2 W
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	9.3024 ± 0.0004 Å
b	23.5665 ± 0.001 Å
c	31.9975 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7014.7 ± 0.5 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331581.cif
97718	2014-01-29	cif/ Adding structures of 4331577, 4331578, 4331579, 4331580, 4331581, 4331582, 4331583 via cif-deposit CGI script.	4331581.cif