Crystallography Open Database

Information card for entry 7116105

Preview

Coordinates	7116105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H38 N6 O20 Zn2
Calculated formula	C53 H24 N6 O20 Zn2
Title of publication	A rare (3,4,5)-connected metal-organic framework featuring an unprecedented 1D + 2D > 3D self-interpenetrated array and an O-atom lined pore surface: structure and controlled drug release
Authors of publication	Di-Chang Zhong; Lie-Qiang Liao; Ji-Hua Deng; Qing Chen; Ping Lian; Xu-Zhong Luo
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15807
a	38.596 ± 0.008 Å
b	15.279 ± 0.003 Å
c	23.6 ± 0.005 Å
α	90°
β	101.29 ± 0.03°
γ	90°
Cell volume	13648 ± 5 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	0.1832
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.2101
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
180275 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116105.cif
129047	2014-12-24	cif/ Adding structures of 7116105 via cif-deposit CGI script.	7116105.cif