Crystallography Open Database

Information card for entry 4067803

Preview

Coordinates	4067803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H59 Ag O10 P4 Pd S3
Calculated formula	C60 H57 Ag O10 P4 Pd S3
Title of publication	Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center
Authors of publication	Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	133
a	15.072 ± 0.004 Å
b	15.753 ± 0.004 Å
c	15.813 ± 0.004 Å
α	117.773 ± 0.003°
β	102.087 ± 0.0004°
γ	107.32 ± 0.0008°
Cell volume	2889.5 ± 1.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0491
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4067803.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067803.cif
37989	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067801, 4067802, 4067803, 4067804, 4067805, 4067806, 4067807, 4067808, 4067809, 4067810, 4067811 via cif-deposit CGI script.	4067803.cif