Crystallography Open Database

Information card for entry 7240092

Preview

Coordinates	7240092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H49 F6 Ir2 N4 O10.5 S2 Si4
Calculated formula	C34 H48 F6 Ir2 N4 O10 S2 Si4
Title of publication	Unprecedent formation of methylsilylcarbonates from iridium-catalyzed reduction of CO2 with hydrosilanes
Authors of publication	Guzmán, Jefferson; García-Orduña, Pilar; Lahoz, Fernando J.; Fernández-Alvarez, Francisco J.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	16
Pages of publication	9582 - 9586
a	9.0468 ± 0.0005 Å
b	12.0453 ± 0.0006 Å
c	12.0619 ± 0.0007 Å
α	66.472 ± 0.001°
β	88.546 ± 0.001°
γ	88.769 ± 0.001°
Cell volume	1204.65 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0134
Residual factor for significantly intense reflections	0.0131
Weighted residual factors for significantly intense reflections	0.0323
Weighted residual factors for all reflections included in the refinement	0.0324
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258066 (current)	2020-10-06	cif/ Updating files of 7240092 Original log message: Adding full bibliography for 7240092.cif.	7240092.cif
249176	2020-03-07	cif/ Adding structures of 7240092 via cif-deposit CGI script.	7240092.cif