Crystallography Open Database

Information card for entry 7127342

Preview

Coordinates	7127342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H38 Cl Ir N2 O5.5
Calculated formula	C34.5 H38 Cl Ir N2 O5.5
Title of publication	Organoiridium-quinone conjugates for facile hydrogen peroxide generation.
Authors of publication	Nguyen, Huong T. H.; Do, Loi H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	87
Pages of publication	13381 - 13384
a	7.7989 ± 0.0015 Å
b	9.4618 ± 0.0018 Å
c	24.171 ± 0.005 Å
α	95.058 ± 0.002°
β	94.646 ± 0.003°
γ	112.464 ± 0.002°
Cell volume	1629.1 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.322
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
260715 (current)	2021-01-07	cif/ Updating files of 7127342 Original log message: Adding full bibliography for 7127342.cif.	7127342.cif
256839	2020-09-30	cif/ Adding structures of 7127342 via cif-deposit CGI script.	7127342.cif