Crystallography Open Database

Information card for entry 4341278

Preview

Coordinates	4341278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H108 B2 Cd3 N4 O16
Calculated formula	C82 H108 B2 Cd3 N4 O16
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	14.9156 ± 0.0007 Å
b	15.0624 ± 0.0008 Å
c	28.7668 ± 0.0011 Å
α	90°
β	117.561 ± 0.003°
γ	90°
Cell volume	5729.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
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.	4341278.cif
126905	2014-11-12	cif/ Updating files of 4341277, 4341278 Original log message: Adding full bibliography for 4341277--4341278.cif.	4341278.cif
125289	2014-10-12	cif/ Adding structures of 4341278 via cif-deposit CGI script.	4341278.cif