Crystallography Open Database

Information card for entry 7233767

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Structure parameters

Formula	C16 H12 O2
Calculated formula	C16 H12 O2
Title of publication	Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films
Authors of publication	M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	5607 - 5614
a	18.696 ± 0.002 Å
b	5.148 ± 0.0007 Å
c	12.7045 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1222.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1246
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233767.cif
218164	2019-09-11	cif/ Adding structures of 7233767 via cif-deposit CGI script.	7233767.cif