Crystallography Open Database

Information card for entry 7215293

Preview

Coordinates	7215293.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn_NDI_CID
Chemical name	Zn_NDI_CID
Formula	C30 H14 N4 O8 S Zn
Calculated formula	C30 H14 N4 O8 S Zn
Title of publication	Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism
Authors of publication	Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3360
a	10.373 ± 0.006 Å
b	11.875 ± 0.007 Å
c	15.088 ± 0.009 Å
α	93.108 ± 0.007°
β	104.184 ± 0.005°
γ	105.905 ± 0.006°
Cell volume	1718.1 ± 1.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2074
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180483 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/52.	7215293.cif
111907	2014-04-28	cif/ Adding structures of 7215293, 7215294 via cif-deposit CGI script.	7215293.cif