Crystallography Open Database

Information card for entry 1550934

Preview

Coordinates	1550934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Cl2 Ir2 N4 O4 Si4
Calculated formula	C32 H48 Cl2 Ir2 N4 O4 Si4
SMILES	[Ir]123([Cl][Ir]45([Cl]1)([Si](Oc1[n]4ccc(c1)C)(C)C)[Si](Oc1[n]5ccc(c1)C)(C)C)([Si](Oc1[n]2ccc(c1)C)(C)C)[Si](Oc1[n]3ccc(c1)C)(C)C
Title of publication	Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2
Authors of publication	Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	17.8492 ± 0.0009 Å
b	10.6328 ± 0.0006 Å
c	43.5137 ± 0.0019 Å
α	90°
β	96.227 ± 0.002°
γ	90°
Cell volume	8209.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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
214748 (current)	2019-04-25	cif/ Adding structures of 1550934, 1550935 via cif-deposit CGI script.	1550934.cif