Crystallography Open Database

Information card for entry 4132047

4132046 << 4132047 >> 4132048

Preview

Coordinates	4132047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H33 B Cl2 F20 Ir P
Calculated formula	C45 H33 B Cl2 F20 Ir P
Title of publication	Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides.
Authors of publication	Klet, Rachel C.; Kaphan, David M.; Liu, Cong; Yang, Ce; Kropf, A. Jeremy; Perras, Frédéric A; Pruski, Marek; Hock, Adam S.; Delferro, Massimiliano
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	20
Pages of publication	6308 - 6316
a	10.1418 ± 0.0005 Å
b	14.6984 ± 0.0008 Å
c	15.9199 ± 0.0009 Å
α	74.683 ± 0.003°
β	80.155 ± 0.003°
γ	83.512 ± 0.003°
Cell volume	2249.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.05 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	0.0518
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
242089 (current)	2019-11-25	cif/ Adding structures of 4132047 via cif-deposit CGI script.	4132047.cif