Crystallography Open Database

Information card for entry 7242299

Preview

Coordinates	7242299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.25 H45 B2 F2 Fe N7 O9 S2
Calculated formula	C52.25 H45 B2 F2 Fe N7 O9 S2
Title of publication	Synthesis and spectral characterization of the first fluorescein-tagged iron(ii) clathrochelates, their supramolecular interactions with globular proteins, and cellular uptake
Authors of publication	Selin, Roman O.; Klemt, Insa; Chernii, Viktor Ya.; Losytskyy, Mykhaylo Yu.; Chernii, Svitlana; Mular, Andrzej; Gumienna-Kontecka, Elzbieta; Kovalska, Vladyslava B.; Voloshin, Yan Z.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Mokhir, Andriy
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	14
Pages of publication	8163 - 8177
a	13.293 ± 0.003 Å
b	18.175 ± 0.004 Å
c	22.565 ± 0.005 Å
α	104.83 ± 0.03°
β	103.52 ± 0.03°
γ	90.14 ± 0.03°
Cell volume	5113 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2246
Residual factor for significantly intense reflections	0.0959
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.7927 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262182 (current)	2021-02-24	cif/ Adding structures of 7242299 via cif-deposit CGI script.	7242299.cif