Crystallography Open Database

Information card for entry 7215294

Preview

Coordinates	7215294.cif
Original paper (by DOI)	HTML

Structure parameters

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	17.615 ± 0.005 Å
b	16.644 ± 0.005 Å
c	19.66 ± 0.005 Å
α	90 ± 0.005°
β	91.89 ± 0.005°
γ	90 ± 0.005°
Cell volume	5761 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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
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.	7215294.cif
111907	2014-04-28	cif/ Adding structures of 7215293, 7215294 via cif-deposit CGI script.	7215294.cif