Crystallography Open Database

Information card for entry 7715442

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Coordinates	7715442.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4
Chemical name	4
Formula	C66 H78 Ba2 Cl Fe3 N6 O40
Calculated formula	C66 H78 Ba2 Cl Fe3 N6 O40
Title of publication	Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.
Authors of publication	Long, Chanreingam; Ray, Manabendra
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6642 - 6652
a	27.067 ± 0.007 Å
b	13.513 ± 0.003 Å
c	12.427 ± 0.002 Å
α	90°
β	101.042 ± 0.011°
γ	90°
Cell volume	4461.1 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
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
291645 (current)	2024-05-05	cif/ Updating files of 7715440, 7715441, 7715442, 7715443 Original log message: Adding full bibliography for 7715440--7715443.cif.	7715442.cif
290469	2024-03-13	cif/ Adding structures of 7715440, 7715441, 7715442, 7715443 via cif-deposit CGI script.	7715442.cif