Crystallography Open Database

Information card for entry 4341277

Preview

Coordinates	4341277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H111 B3 O14 Zn3
Calculated formula	C96 H111 B3 O14 Zn3
Title of publication	Synthesis of two triarylboron-functionalized metal-organic frameworks: in situ decarboxylic reaction, structure, photoluminescence, and gas adsorption properties.
Authors of publication	Wang, Xiaoqing; Yang, Jie; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	20
Pages of publication	11206 - 11212
a	37.0156 ± 0.0011 Å
b	37.0156 ± 0.0011 Å
c	37.0156 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	50717 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.1618
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.2478
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341277.cif
126905	2014-11-12	cif/ Updating files of 4341277, 4341278 Original log message: Adding full bibliography for 4341277--4341278.cif.	4341277.cif
125288	2014-10-12	cif/ Adding structures of 4341277 via cif-deposit CGI script.	4341277.cif