Crystallography Open Database

Information card for entry 7249449

Preview

Coordinates	7249449.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(NpO2)3(PO4)2(Terpy)
Formula	C15 H11 N3 Np3 O14 P2
Calculated formula	C15 H11 N3 Np3 O14 P2
Title of publication	Hydrothermal synthesis and structure of organically templated layered neptunyl(vi) phosphate (NpO2)3(PO4)2(Terpy)
Authors of publication	Zhang, Lei; Wang, Yu; Xu, Mengyu; Kokot, Alex M.; Qiu, Jie; Burns, Peter C.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	42
Pages of publication	5991 - 5995
a	13.9944 ± 0.0008 Å
b	12.1989 ± 0.0007 Å
c	13.1277 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2241.1 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.0452
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
296458 (current)	2024-12-06	cif/ Updating files of 7249449 Original log message: Adding full bibliography for 7249449.cif.	7249449.cif
295417	2024-10-11	cif/ Adding structures of 7249449 via cif-deposit CGI script.	7249449.cif