Crystallography Open Database

Information card for entry 4067805

Preview

Coordinates	4067805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H63 Cl5 F6 O P5 Pd Rh
Calculated formula	C54 H63 Cl5 F6 O P5 Pd Rh
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	12.242 ± 0.004 Å
b	15.428 ± 0.005 Å
c	17.398 ± 0.006 Å
α	90.395 ± 0.004°
β	108.107 ± 0.004°
γ	109.157 ± 0.0015°
Cell volume	2928.5 ± 1.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.2489
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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.	4067805.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067805.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.	4067805.cif