Crystallography Open Database

Information card for entry 7113537

Preview

Coordinates	7113537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 Ir2 N O P2 S
Calculated formula	C31 H39 Ir2 N O P2 S
SMILES	[Ir]12345([Ir](S1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)N=O)([P](C)(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
Title of publication	Mono(sulfido)-bridged mixed-valence nitrosyl complex: protonation and oxidative addition of iodine across the Ir(II)‒Ir(0) bond
Authors of publication	Hattori, Takanori; Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	4
Pages of publication	510 - 511
a	12.841 ± 0.004 Å
b	16.136 ± 0.006 Å
c	15.616 ± 0.006 Å
α	90°
β	98.33 ± 0.03°
γ	90°
Cell volume	3202 ± 2 Å³
Cell temperature	296.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.608
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	7103972
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210522 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7103972-7103973, 7113537-7113538. Marking entries 7113537-7113538 as duplicates of entries 7103972-7103973.	7113537.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113537.cif
115118	2014-06-02	cif/ Adding structures of 7113537, 7113538 via cif-deposit CGI script.	7113537.cif