Crystallography Open Database

Information card for entry 7058196

Preview

Coordinates	7058196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H88 Cr2 Fe2 N12 O17
Calculated formula	C92 H88 Cr2 Fe2 N12 O17
Title of publication	Ion-pair complexes of Schiff base Fe(iii) cations and complex anions
Authors of publication	Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4937
a	11.2435 ± 0.0006 Å
b	13.6516 ± 0.0007 Å
c	14.4148 ± 0.0006 Å
α	96.464 ± 0.004°
β	106.508 ± 0.004°
γ	93.24 ± 0.004°
Cell volume	2098.75 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
224991 (current)	2019-11-08	cif/ Updating files of 7058195, 7058196, 7058197, 7058198 Original log message: Adding full bibliography for 7058195--7058198.cif.	7058196.cif
213720	2019-02-20	cif/ Adding structures of 7058195, 7058196, 7058197, 7058198 via cif-deposit CGI script.	7058196.cif