Crystallography Open Database

Information card for entry 4076306

Preview

Coordinates	4076306.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PdC60Ph5metallyl
Formula	C94.25 H32 Pd S0.5
Calculated formula	C94.25 H32 Pd S0.5
Title of publication	Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand
Authors of publication	Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	13
Pages of publication	3259
a	13.415 ± 0.0011 Å
b	21.37 ± 0.0012 Å
c	21.159 ± 0.0016 Å
α	65.206 ± 0.003°
β	80.338 ± 0.003°
γ	78.855 ± 0.004°
Cell volume	5377.1 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2118
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
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
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.	4076306.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4076306.cif
51757	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076306 via cif-deposit CGI script.	4076306.cif