Crystallography Open Database

Information card for entry 7114677

Preview

Coordinates	7114677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl O5 P2 W
Calculated formula	C36 H39 Cl O5 P2 W
SMILES	[W]([P](C(Cl)=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
Authors of publication	Ito, Shigekazu; Yoshifuji, Masaaki
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	13
Pages of publication	1208
a	10.062 ± 0.005 Å
b	25.244 ± 0.003 Å
c	13.845 ± 0.002 Å
α	90°
β	93.92 ± 0.003°
γ	90°
Cell volume	3508.5 ± 1.9 Å³
Cell temperature	120.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114677.cif
118278	2014-06-29	cif/ Adding structures of 7114676, 7114677 via cif-deposit CGI script.	7114677.cif