Crystallography Open Database

Information card for entry 7126373

Preview

Coordinates	7126373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 Ce3 F0.5 N1.5 O15.5
Calculated formula	C48 H37.88 Ce3 F0.46 N1.5 O15.54
Title of publication	Molecular nanoparticles of cerium dioxide: structure-directing effect of halide ions.
Authors of publication	Russell-Webster, Bradley; Abboud, Khalil A.; Christou, George
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	40
Pages of publication	5382 - 5385
a	14.683 ± 0.009 Å
b	14.726 ± 0.01 Å
c	14.909 ± 0.01 Å
α	60.518 ± 0.011°
β	65.035 ± 0.011°
γ	62.487 ± 0.01°
Cell volume	2408 ± 3 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.0371
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
252713 (current)	2020-06-05	cif/ Updating files of 7126372, 7126373 Original log message: Adding full bibliography for 7126372--7126373.cif.	7126373.cif
250753	2020-04-15	cif/ Adding structures of 7126372, 7126373 via cif-deposit CGI script.	7126373.cif