Crystallography Open Database

Information card for entry 4517134

Preview

Coordinates	4517134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Fe2 N2 O13
Calculated formula	C14 H11 Fe2 N2 O13
Title of publication	Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”
Authors of publication	Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju
Journal of publication	ACS Omega
Year of publication	2019
Journal volume	4
Journal issue	23
Pages of publication	20423
a	11.3981 ± 0.0011 Å
b	21.713 ± 0.002 Å
c	7.5145 ± 0.0007 Å
α	90°
β	90.043 ± 0.004°
γ	90°
Cell volume	1859.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0829
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
246540 (current)	2020-01-04	cif/ Updating files of 4517133, 4517134 Original log message: Adding full bibliography for 4517133--4517134.cif.	4517134.cif
242186	2019-11-26	cif/ Adding structures of 4517134 via cif-deposit CGI script.	4517134.cif