Crystallography Open Database

Information card for entry 2311560

Preview

Coordinates	2311560.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bromido(η^6^-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-\ 1-olato-κ^2^<i>O</i>,<i>O</i>')osmium
Formula	C17 H19 Br O2 Os
Calculated formula	C17 H19 Br O2 Os
Title of publication	Crystal structure of bromido(η<sup>6</sup>-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-1-olato-κ<sup>2</sup><i>O</i>,<i>O</i>')osmium.
Authors of publication	Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 3
Pages of publication	275 - 277
a	11.1574 ± 0.0005 Å
b	14.6104 ± 0.0007 Å
c	10.8342 ± 0.0005 Å
α	90°
β	110.454 ± 0.002°
γ	90°
Cell volume	1654.78 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0581
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
245983 (current)	2019-12-25	cif/ Adding structures of 2311560 via cif-deposit CGI script.	2311560.cif