Crystallography Open Database

Information card for entry 4088176

Preview

Coordinates	4088176.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetraethylammonium (?2-carbonyl)-(?2-hydrido)-(?4-arsenic)-pentadecacarbonyl-tri-iron-manganese
Formula	C23 H21 As Fe3 Mn N O15
Calculated formula	C23 H21 As Fe3 Mn N O15
Title of publication	Transformations in Transition-Metal Carbonyls Containing Arsenic: Exploring the Chemistry of [Et4N]2[HAs{Fe(CO)4}3] in the Search for Single-Source Precursors for Advanced Metal Pnictide Materials
Authors of publication	Schipper, Desmond E.; Young, Benjamin E.; Whitmire, Kenton H.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	471
a	12.62 ± 0.008 Å
b	14.615 ± 0.009 Å
c	17.279 ± 0.011 Å
α	90°
β	94.531 ± 0.008°
γ	90°
Cell volume	3177 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.0593
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
237337 (current)	2019-11-24	cif/ Adding structures of 4088173, 4088174, 4088175, 4088176, 4088177, 4088178, 4088179, 4088180, 4088181 via cif-deposit CGI script.	4088176.cif