Crystallography Open Database

Information card for entry 4002176

Preview

Coordinates	4002176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H57 N6 O23 Tb4
Calculated formula	C57 H57.01 N6 O23 Tb4
Title of publication	Novel Tb-MOF Embedded with Viologen Species for Multi-Photofunctionality: Photochromism, Photomodulated Fluorescence, and Luminescent pH Sensing
Authors of publication	Li, Hai-Yang; Wei, Yong-Li; Dong, Xi-Yan; Zang, Shuang-Quan; Mak, Thomas C. W.
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	4
Pages of publication	1327
a	31.5176 ± 0.0003 Å
b	31.5176 ± 0.0003 Å
c	31.5176 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	31308.3 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002176.cif
132770	2015-03-04	cif/ Updating files of 4002176 Original log message: Adding full bibliography for 4002176.cif.	4002176.cif
131596	2015-02-10	cif/ Adding structures of 4002176 via cif-deposit CGI script.	4002176.cif