Crystallography Open Database

Information card for entry 4511984

4511983 << 4511984 >> 4511985

Preview

Coordinates	4511984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H70.875 F3 N2 O9.125 P4 Rh S
Calculated formula	C65.5 H71.0001 F3 N2 O9.125 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	12.4663 ± 0.0014 Å
b	47.636 ± 0.005 Å
c	42.394 ± 0.005 Å
α	90°
β	91.499 ± 0.004°
γ	90°
Cell volume	25167 ± 5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4511984.cif
124008	2014-09-19	cif/ Adding structures of 4511983, 4511984, 4511985 via cif-deposit CGI script.	4511984.cif