Crystallography Open Database

Information card for entry 4516741

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Coordinates	4516741.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CoH(dmpbz)
Formula	C20 H32 Co P4
Calculated formula	C20 H32 Co P4
Title of publication	Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis
Authors of publication	Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	9
Pages of publication	6008
a	15.7643 ± 0.0005 Å
b	16.3813 ± 0.0005 Å
c	8.9459 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2310.19 ± 0.11 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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