Crystallography Open Database

Information card for entry 4065922

Preview

Coordinates	4065922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H44 B Ir N6 O7
Calculated formula	C33 H44 B Ir N6 O7
Title of publication	Mild Oxidation of C−C Bonds of Benzoiridacycles
Authors of publication	Padilla, Rosa; Salazar, Verónica; Paneque, Margarita; Alvarado-Rodríguez, José G.; Tamariz, Joaquín; Pacheco-Cuvas, Héctor; Vattier, Florencia
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2835
a	12.021 ± 0.001 Å
b	21.518 ± 0.002 Å
c	14.806 ± 0.001 Å
α	90°
β	104.99 ± 0.02°
γ	90°
Cell volume	3699.5 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.048
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065922.html