Crystallography Open Database

Information card for entry 4070598

Preview

Coordinates	4070598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H88 F5 O12 P2 Pd Si7
Calculated formula	C51 H88 F5 O12 P2 Pd Si7
Title of publication	Preparation and NMR Studies of Palladium Complexes with a Silsesquioxanate Ligand
Authors of publication	Tanabe, Makoto; Mutou, Kohji; Mintcheva, Neli; Osakada, Kohtaro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	519
a	13.7 ± 0.006 Å
b	14.054 ± 0.006 Å
c	17.196 ± 0.007 Å
α	102.186 ± 0.007°
β	99.416 ± 0.005°
γ	91.966 ± 0.007°
Cell volume	3185 ± 2 Å³
Cell temperature	113.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
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.	4070598.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070598.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070598.cif
42582	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070598 via cif-deposit CGI script.	4070598.cif