Crystallography Open Database

Information card for entry 4084954

Preview

Coordinates	4084954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 Ir P
Calculated formula	C25 H40 Ir P
SMILES	[Ir]12345([P](c6c(cccc6C)C5)(C(C)C)C(C)C)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C
Title of publication	Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes
Authors of publication	Campos, Jesús; Carmona, Ernesto
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2212
a	8.2676 ± 0.0003 Å
b	9.1408 ± 0.0003 Å
c	30.4909 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2304.27 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178738 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/49.	4084954.cif
140228	2015-07-05	cif/ Updating files of 4084945, 4084946, 4084947, 4084948, 4084949, 4084950, 4084951, 4084952, 4084953, 4084954 Original log message: Adding full bibliography for 4084945--4084954.cif.	4084954.cif
128445	2014-12-06	cif/ Adding structures of 4084945, 4084946, 4084947, 4084948, 4084949, 4084950, 4084951, 4084952, 4084953, 4084954 via cif-deposit CGI script.	4084954.cif