Crystallography Open Database

Information card for entry 4510359

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Structure parameters

Formula	C32 H28 F12 Fe2 N4 O4 S4
Calculated formula	C32 H28 F12 Fe2 N4 O4 S4
Title of publication	Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition
Authors of publication	Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1811
a	12.323 ± 0.005 Å
b	18.408 ± 0.005 Å
c	18.015 ± 0.005 Å
α	90 ± 0.005°
β	104.012 ± 0.005°
γ	90 ± 0.005°
Cell volume	3965 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4510359.cif
179650	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510359.cif
109056	2014-04-07	cif/ Adding structures of 4510359, 4510360 via cif-deposit CGI script.	4510359.cif