Crystallography Open Database

Information card for entry 7240769

Preview

Coordinates	7240769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Er8 Na4 O50
Calculated formula	C20.25 H14 Er8 Na4 O49
Title of publication	Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks
Authors of publication	Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong
Journal of publication	CrystEngComm
Year of publication	2020
a	12.4441 ± 0.0002 Å
b	12.4441 ± 0.0002 Å
c	19.0521 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2950.32 ± 0.1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0225
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253389 (current)	2020-06-24	cif/ Adding structures of 7240769, 7240770, 7240771 via cif-deposit CGI script.	7240769.cif