Crystallography Open Database

Information card for entry 2311345

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Structure parameters

Chemical name	1-Phenylimido-1-{6-[1-(phenylimino)ethyl]pyridin-2-yl}ethan-1-yl-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iron(II)
Formula	C42 H38 Fe N6
Calculated formula	C42 H38 Fe N6
Title of publication	Crystal structure of 1-phenyl-imido-1-{6-[1-(phenyl-imino)-eth-yl]pyridin-2-yl}ethan-1-yl-κ<sup>3</sup><i>N</i>,<i>N</i>',<i>N</i>'')iron(II).
Authors of publication	Lau, Ka-Cheong; Filatov, Alexander S.; Jordan, Richard F.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2016
Journal volume	72
Journal issue	Pt 11
Pages of publication	1595 - 1598
a	11.9028 ± 0.0005 Å
b	32.2189 ± 0.0014 Å
c	35.5223 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	13622.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311345.cif
245812	2019-12-25	cif/ Adding structures of 2311345 via cif-deposit CGI script.	2311345.cif