Crystallography Open Database

Information card for entry 7711378

Preview

Coordinates	7711378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H198 As N29 O28
Calculated formula	C144 H198 As N29 O28
Title of publication	Selective recognition and extraction of arsenate by a urea-functionalized tripodal receptor from competitive aqueous media
Authors of publication	Dey, Dr. Sandeep Kumar Kumar; Gil-Hernández, Beatriz; Gobre, Vivekanand V.; Woschko, Dennis; Harmalkar, Sarvesh S.; Gayen, Firdaus Rahaman; Saha, Biswajit; Goswamee, Rajib Lochan; Janiak, Christoph
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.5033 ± 0.0013 Å
b	17.7141 ± 0.0013 Å
c	29.548 ± 0.002 Å
α	87.526 ± 0.004°
β	84.116 ± 0.004°
γ	82.468 ± 0.004°
Cell volume	9030.5 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0964
Weighted residual factors for significantly intense reflections	0.2598
Weighted residual factors for all reflections included in the refinement	0.2752
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
278291 (current)	2022-10-01	cif/ Adding structures of 7711378 via cif-deposit CGI script.	7711378.cif