Crystallography Open Database

Information card for entry 4511983

4511982 << 4511983 >> 4511984

Preview

Coordinates	4511983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H60 F3 O4 P4 Rh S
Calculated formula	C59 H60 F3 O4 P4 Rh S
Title of publication	The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts
Authors of publication	Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.
Journal of publication	ACS Catalysis
Year of publication	2014
Pages of publication	140903144432009
a	12.7463 ± 0.0005 Å
b	15.5086 ± 0.0007 Å
c	13.5727 ± 0.0006 Å
α	90°
β	109.429 ± 0.001°
γ	90°
Cell volume	2530.23 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179666 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19.	4511983.cif
124008	2014-09-19	cif/ Adding structures of 4511983, 4511984, 4511985 via cif-deposit CGI script.	4511983.cif