Crystallography Open Database

Information card for entry 4321675

Preview

Coordinates	4321675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H34 Fe O P4 S
Calculated formula	C13 H34 Fe O P4 S
SMILES	[FeH]12(SC=O)([P](C)(C)CC[P]1(C)C)[P](C)(C)CC[P]2(C)C
Title of publication	Insertion of CO2, CS2, and COS into Iron(II)-Hydride Bonds
Authors of publication	Leslie D. Field; Eric T. Lawrenz; Warren J. Shaw; Peter Turner
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5632 - 5638
a	14.1418 ± 0.0014 Å
b	16.9976 ± 0.0017 Å
c	18.2308 ± 0.0018 Å
α	90°
β	108.337 ± 0.002°
γ	90°
Cell volume	4159.7 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0744
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179319 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/16.	4321675.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321675.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321675.cif
19439	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321675 via cif-deposit CGI script.	4321675.cif