Crystallography Open Database

Information card for entry 7045629

Preview

Coordinates	7045629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 N2 O16 U2
Calculated formula	C48 H30 N2 O16 U2
Title of publication	Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.
Authors of publication	Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	12
Pages of publication	4236 - 4250
a	10.014 ± 0.002 Å
b	15.315 ± 0.003 Å
c	16.677 ± 0.003 Å
α	97.86 ± 0.03°
β	97.56 ± 0.03°
γ	98.9 ± 0.03°
Cell volume	2472.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
230044 (current)	2019-11-17	cif/ Updating files of 7045626, 7045627, 7045628, 7045629, 7045630, 7045631 Original log message: Adding full bibliography for 7045626--7045631.cif.	7045629.cif
206415	2018-02-14	cif/ Adding structures of 7045626, 7045627, 7045628, 7045629, 7045630, 7045631 via cif-deposit CGI script.	7045629.cif