Crystallography Open Database

Information card for entry 4513612

Preview

Coordinates	4513612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H51 Ba Fe2 N5 Na O17
Calculated formula	C48 H40 Ba Fe2 N4 Na O14
Title of publication	Heterotrimetallic Organic Framework Assembled with FeIII/BaII/NaIand Schiff Base: Structure and Visible Photocatalytic Degradation of Chlorophenols
Authors of publication	Wang, Hui-Hui; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	4986
a	31.955 ± 0.003 Å
b	65.386 ± 0.002 Å
c	12.957 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	27072 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	22
Hermann-Mauguin space group symbol	F 2 2 2
Hall space group symbol	F 2 2
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2332
Weighted residual factors for all reflections included in the refinement	0.2554
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
170041 (current)	2015-11-06	cif/ Updating files of 4513612 Original log message: Adding full bibliography for 4513612.cif.	4513612.cif
155879	2015-09-12	cif/ Adding structures of 4513612 via cif-deposit CGI script.	4513612.cif