Crystallography Open Database

Information card for entry 4328683

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Structure parameters

Common name	LHL2284
Formula	C22 H47 Cl Fe N2 O P4
Calculated formula	C22 H47 Cl Fe N2 O P4
SMILES	[Fe]123([P](C)(C)CC[P]1(C)C)(N([NH2]2)c1ccccc1)[P](C)(C)CC[P]3(C)C.[Cl-].O1CCCC1
Title of publication	Side-on Bound Complexes of Phenyl- and Methyl-diazene
Authors of publication	Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3733 - 3742
a	17.26 ± 0.002 Å
b	13.4299 ± 0.0016 Å
c	12.523 ± 0.0014 Å
α	90°
β	106.257 ± 0.007°
γ	90°
Cell volume	2786.8 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4328683.cif
179389	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 4/32/86.	4328683.cif
77677	2013-03-29	cif/ Adding structures of 4328683 via cif-deposit CGI script.	4328683.cif