Crystallography Open Database

Information card for entry 4301231

Preview

Coordinates	4301231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H80 Cl4 Ir2 N4 P2 Rh2
Calculated formula	C65 H80 Cl4 Ir2 N4 P2 Rh2
SMILES	[Ir]123456([P](C[P]([Ir]789%10([N]1=C=N[Rh]1%11%12(Cl)[CH]%13=[CH]1CC[CH]%11=[CH]%12CC%13)([N]2=C=N[Rh]12%11(Cl)[CH]%12=[CH]1CC[CH]2=[CH]%11CC%12)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.ClCCCl
Title of publication	Core Expansion Reactions of Cyanamido/Carbodiimido-Bridged Polynuclear Iridium Complexes
Authors of publication	Makoto Imaji; Yoshiaki Tanabe; Yuichiro Mutoh; Youichi Ishii
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	773 - 780
a	10.165 ± 0.002 Å
b	17.775 ± 0.004 Å
c	17.886 ± 0.004 Å
α	95.766 ± 0.003°
β	98.457 ± 0.003°
γ	102.319 ± 0.003°
Cell volume	3093.8 ± 1.2 Å³
Cell temperature	123.1 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	0.0417
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4301231.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301231.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301231.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301231.cif