Crystallography Open Database

Information card for entry 4084953

Preview

Coordinates	4084953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 B Br F24 Ir P
Calculated formula	C56 H48 B Br F24 Ir P
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	14.2344 ± 0.0003 Å
b	14.3864 ± 0.0003 Å
c	15.1992 ± 0.0003 Å
α	98.547 ± 0.001°
β	102.499 ± 0.001°
γ	109.285 ± 0.001°
Cell volume	2785.23 ± 0.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.0202
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4084953.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.	4084953.cif
128445	2014-12-06	cif/ Adding structures of 4084945, 4084946, 4084947, 4084948, 4084949, 4084950, 4084951, 4084952, 4084953, 4084954 via cif-deposit CGI script.	4084953.cif