Crystallography Open Database

Information card for entry 1568201

Preview

Coordinates	1568201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H108 Br2 Cl18 N8 Na2 O12
Calculated formula	C60 H108 Br2 Cl18 N8 Na2 O12
Title of publication	Chelating chloride using binuclear lanthanide complexes in water.
Authors of publication	Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	5
Pages of publication	1194 - 1204
a	12.4765 ± 0.0003 Å
b	13.7256 ± 0.0003 Å
c	15.0782 ± 0.0003 Å
α	71.979 ± 0.002°
β	88.7149 ± 0.0018°
γ	78.9608 ± 0.0019°
Cell volume	2408.12 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for all reflections	0.1363
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	0.9928
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283154 (current)	2023-05-05	cif/ Updating files of 1568201, 1568202, 1568203, 1568204, 1568205, 1568206, 1568207 Original log message: Adding full bibliography for 1568201--1568207.cif.	1568201.cif
280050	2022-12-28	cif/ Adding structures of 1568201, 1568202, 1568203, 1568204, 1568205, 1568206, 1568207 via cif-deposit CGI script.	1568201.cif