Crystallography Open Database

Information card for entry 7055181

Preview

Coordinates	7055181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H64 Cd2 N14 O24
Calculated formula	C53 H38 Cd2 N4 O16
Title of publication	A porous framework based on tetrakis(4-pyridyloxymethyl)methane fine-tuned by metal ions: synthesis, crystal structures and adsorption properties
Authors of publication	Li, Zhao; Chen, Xi; Yu, Fan; Su, Min; Zhang, Bi-quan; Li, Bao; Zhang, Tian-le
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	2
Pages of publication	1430
a	46.403 Å
b	11.125 Å
c	24.144 Å
α	90°
β	98.48°
γ	90°
Cell volume	12327.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1673
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1741
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177891 (current)	2016-03-05	cif/ Updating files of 7055179, 7055180, 7055181 Original log message: Adding full bibliography for 7055179--7055181.cif.	7055181.cif
170443	2015-11-21	cif/ Adding structures of 7055179, 7055180, 7055181 via cif-deposit CGI script.	7055181.cif