Crystallography Open Database

Information card for entry 7055136

Preview

Coordinates	7055136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 P
Calculated formula	C23 H21 P
SMILES	P(C1=CCc2c(ccc(c12)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	8.3278 ± 0.0004 Å
b	17.6372 ± 0.0008 Å
c	12.0862 ± 0.0005 Å
α	90°
β	93.553 ± 0.003°
γ	90°
Cell volume	1771.8 ± 0.14 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7055136.cif
160445	2015-10-06	cif/ Adding structures of 7055136, 7055137 via cif-deposit CGI script.	7055136.cif