Crystallography Open Database

Information card for entry 4345557

Preview

Coordinates	4345557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H0 Np10 O70
Calculated formula	C24 Np10 O70
Title of publication	Synthesis of Coordination Polymers of Tetravalent Actinides (Uranium and Neptunium) with a Phthalate or Mellitate Ligand in an Aqueous Medium.
Authors of publication	Martin, Nicolas P.; März, Juliane; Volkringer, Christophe; Henry, Natacha; Hennig, Christoph; Ikeda-Ohno, Atsushi; Loiseau, Thierry
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2902 - 2913
a	12.965 ± 0.0003 Å
b	12.9796 ± 0.0003 Å
c	20.1038 ± 0.0005 Å
α	90°
β	95.1696 ± 0.0008°
γ	90°
Cell volume	3369.32 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for significantly intense reflections	1.12
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201208 (current)	2017-09-25	cif/ Removing the _symmetry_equiv_pos_* loops from entries 1542354, 2104869, 2104870, 2105299, 2221169, 2239860, 2310787, 2240938, 4030545, 4084480, 4084845, 4345557, 7111951, 7154122, 7223026 since identical information is alrady provided in the _space_group_symop_* loops.	4345557.cif
194687	2017-04-04	cif/ Adding structures of 4345557 via cif-deposit CGI script.	4345557.cif