Crystallography Open Database

Information card for entry 4082170

Preview

Coordinates	4082170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H63 Cl2 F12 N2 O0.5 P4 Rh2
Calculated formula	C49 H58 Cl2 F12 N2 O0.5 P4 Rh2
Title of publication	Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)
Authors of publication	Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7470
a	9.818 ± 0.004 Å
b	17.63 ± 0.008 Å
c	17.634 ± 0.007 Å
α	85.98 ± 0.005°
β	78.846 ± 0.006°
γ	81.203 ± 0.004°
Cell volume	2957 ± 2 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.0601
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71075 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.	4082170.cif
92208	2014-01-12	cif/ Adding structures of 4082164, 4082165, 4082166, 4082167, 4082168, 4082169, 4082170, 4082171, 4082172, 4082173 via cif-deposit CGI script.	4082170.cif