Crystallography Open Database

Information card for entry 7124745

Preview

Coordinates	7124745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 Ir O2 P3
Calculated formula	C28 H46 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	12.8054 ± 0.0014 Å
b	12.7662 ± 0.0014 Å
c	20.774 ± 0.002 Å
α	90°
β	104.821 ± 0.002°
γ	90°
Cell volume	3283.1 ± 0.6 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	5
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	0.0243
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
234188 (current)	2019-11-23	cif/ Adding structures of 7124745, 7124746, 7124747, 7124748, 7124749, 7124750 via cif-deposit CGI script.	7124745.cif