Crystallography Open Database

Information card for entry 7055137

Preview

Coordinates	7055137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 P
Calculated formula	C24 H23 P
SMILES	P(=C1C=Cc2c(ccc(c12)C)C)(C)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and structure of a new phosphonium-1-indenylide (PHIN) ligand, 4,7-dimethyl-1-C9H4PMePh2, and of new PHIN complexes of rhodium and iridium
Authors of publication	Purdavaie, Kourosh; Baird, Michael C.; Budzelaar, Peter H. M.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9429
a	16.6549 ± 0.0002 Å
b	11.2323 ± 0.0001 Å
c	20.2304 ± 0.0002 Å
α	90°
β	96.4639 ± 0.0004°
γ	90°
Cell volume	3760.5 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
171308 (current)	2015-12-09	cif/ Updating files of 7055136, 7055137 Original log message: Adding full bibliography for 7055136--7055137.cif.	7055137.cif
160445	2015-10-06	cif/ Adding structures of 7055136, 7055137 via cif-deposit CGI script.	7055137.cif