Crystallography Open Database

Information card for entry 4335862

Preview

Coordinates	4335862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H56.5 B2 Co F8 N5.5 P4
Calculated formula	C46 H49 B2 Co F8 N3 P4
Title of publication	Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines
Authors of publication	Eric S. Wiedner; John A. S. Roberts; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois; R. Morris Bullock
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9975 - 9988
a	15.0596 ± 0.0016 Å
b	12.711 ± 0.0013 Å
c	27.968 ± 0.003 Å
α	90°
β	102.008 ± 0.004°
γ	90°
Cell volume	5236.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0574
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4335862.cif
101815	2014-02-18	cif/ Adding structures of 4335862 via cif-deposit CGI script.	4335862.cif