Crystallography Open Database

Information card for entry 4075196

Preview

Coordinates	4075196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H35 Cl O W
Calculated formula	C42.5 H35 Cl O W
Title of publication	Bis(alkyne)cycloheptadienyl and Bis(alkyne)σ,η3-cycloheptenediyl Complexes of Tungsten
Authors of publication	Choi, Hojae; Chen, Weichun; Aistars, Arnis; Lough, Alan J.; Sheridan, John B.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2574
a	16.9094 ± 0.0004 Å
b	9.8757 ± 0.0002 Å
c	21.4777 ± 0.0004 Å
α	90°
β	110.249 ± 0.001°
γ	90°
Cell volume	3364.95 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4075196.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075196.cif
49113	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075196 via cif-deposit CGI script.	4075196.cif