Crystallography Open Database

Information card for entry 4515769

Preview

Coordinates	4515769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.84 H95.68 Bi N4 O17.96 Rh S4
Calculated formula	C67.84 H95.68 Bi N4 O17.96 Rh S4
Title of publication	Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry
Authors of publication	Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	11
Pages of publication	10676
a	22.2169 ± 0.0005 Å
b	22.2169 ± 0.0005 Å
c	10.9063 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5383.2 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
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
225894 (current)	2019-11-10	cif/ Adding structures of 4515769 via cif-deposit CGI script.	4515769.cif