Crystallography Open Database

Information card for entry 4511996

4511995 << 4511996 >> 4511997

Preview

Coordinates	4511996.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[VerkaedeH][Formate)
Formula	C16 H35 N4 O2 P
Calculated formula	C16 H35 N4 O2 P
Title of publication	A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation
Authors of publication	Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	10
Pages of publication	3755
a	9.492 ± 0.0008 Å
b	10.0652 ± 0.0009 Å
c	11.6878 ± 0.001 Å
α	72.135 ± 0.002°
β	84.493 ± 0.003°
γ	64.509 ± 0.002°
Cell volume	958.49 ± 0.14 Å³
Cell temperature	145 K
Ambient diffraction temperature	145 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	4511996.cif
124618	2014-10-06	cif/ Updating files of 4511995, 4511996 Original log message: Adding full bibliography for 4511995--4511996.cif.	4511996.cif
124153	2014-09-24	cif/ Adding structures of 4511996 via cif-deposit CGI script.	4511996.cif