Crystallography Open Database

Information card for entry 4322576

Preview

Coordinates	4322576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H48 B2 F8 Fe O P4
Calculated formula	C21 H48 B2 F8 Fe O P4
SMILES	[Fe]12([P](CC[P]1(CC)CC)(CC)CC)([P](CC[P]2(CC)CC)(CC)CC)([F][B](F)(F)F)C#[O].[B](F)(F)(F)[F-]
Title of publication	Acidic Dicationic Iron(II) Dihydrogen Complexes and Compounds Related by H2 Substitution
Authors of publication	Shaun E. Landau; Robert H. Morris; Alan J. Lough
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	6060 - 6068
a	10.27 ± 0.002 Å
b	15.014 ± 0.003 Å
c	39.908 ± 0.008 Å
α	90°
β	96.23 ± 0.03°
γ	90°
Cell volume	6117 ± 2 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179328 (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 4/32/25.	4322576.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322576.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322576.cif
20887	2011-06-14	../uploads/cif-deposit/cod/cif Adding structures of 4322576 via cif-deposit CGI script.	4322576.cif