Crystallography Open Database

Information card for entry 7122223

Preview

Coordinates	7122223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H140 Cl42 Np38 O76
Calculated formula	C60 H140 Cl42 Np38 O76
Title of publication	{Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides.
Authors of publication	Martin, Nicolas P.; Volkringer, Christophe; Roussel, Pascal; März, Juliane; Hennig, Christoph; Loiseau, Thierry; Ikeda-Ohno, Atsushi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	72
Pages of publication	10060 - 10063
a	19.562 ± 0.0008 Å
b	19.562 ± 0.0008 Å
c	29.3799 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	11242.9 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1084
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for significantly intense reflections	1.48
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
228413 (current)	2019-11-17	cif/ Updating files of 7122223, 7122224 Original log message: Adding full bibliography for 7122223--7122224.cif.	7122223.cif
210063	2018-08-23	cif/ Adding structures of 7122223, 7122224 via cif-deposit CGI script.	7122223.cif