Crystallography Open Database

Information card for entry 4322579

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Structure parameters

Formula	C10 H26 B2 F8 P2
Calculated formula	C10 H26 B2 F8 P2
SMILES	[B](F)(F)(F)[F-].C([PH+](CC)CC)C[PH+](CC)CC.[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	6.5997 ± 0.0003 Å
b	16.4115 ± 0.0009 Å
c	8.2463 ± 0.0003 Å
α	90°
β	100.432 ± 0.003°
γ	90°
Cell volume	878.4 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0525
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0964
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4322579.cif
179328	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.	4322579.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322579.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322579.cif
20890	2011-06-14	../uploads/cif-deposit/cod/cif Adding structures of 4322579 via cif-deposit CGI script.	4322579.cif