Crystallography Open Database

Information card for entry 4106480

Preview

Coordinates	4106480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl Ir N2 O2
Calculated formula	C24 H24 Cl Ir N2 O2
Title of publication	Stepwise Formation of a Molecular Square with Bridging NH,O-Substituted Dicarbene Building Blocks
Authors of publication	Fabian M. Conrady; Roland Fröhlich; Christian Schulte to Brinke; Tania Pape; F. Ekkehardt Hahn
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11496 - 11499
a	16.8925 ± 0.0006 Å
b	17.2396 ± 0.0006 Å
c	7.5829 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2208.29 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0493
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106480.html