Crystallography Open Database

Information card for entry 7124746

Preview

Coordinates	7124746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H48 Ir O2 P3
Calculated formula	C29 H48 Ir O2 P3
Title of publication	Iridium-catalysed dehydrocoupling of aryl phosphine-borane adducts: synthesis and characterisation of high molecular weight poly(phosphinoboranes).
Authors of publication	Paul, Ursula S. D.; Braunschweig, Holger; Radius, Udo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	55
Pages of publication	8573 - 8576
a	10.2215 ± 0.0011 Å
b	11.864 ± 0.0013 Å
c	16.0253 ± 0.0018 Å
α	103.712 ± 0.002°
β	100.633 ± 0.002°
γ	93.622 ± 0.002°
Cell volume	1843.9 ± 0.4 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
234188 (current)	2019-11-23	cif/ Adding structures of 7124745, 7124746, 7124747, 7124748, 7124749, 7124750 via cif-deposit CGI script.	7124746.cif