Crystallography Open Database

Information card for entry 7220009

7220008 << 7220009 >> 7220010

Preview

Coordinates	7220009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N4 S10 Zn
Calculated formula	C34 H24 N4 S10 Zn
Title of publication	Mechanical motion in the solid state and molecular recognition: reversible cis‒trans transformation of an organic receptor in a solid‒liquid crystalline state reaction triggered by anion exchange
Authors of publication	Madhu, Vedichi; Sabbani, Supriya; Kishore, Ravada; Naik, Indravath K.; Das, Samar K.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	17
Pages of publication	3219
a	11.011 ± 0.003 Å
b	11.867 ± 0.004 Å
c	18.154 ± 0.006 Å
α	71.519 ± 0.005°
β	79.676 ± 0.005°
γ	87.614 ± 0.005°
Cell volume	2213.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1876
Weighted residual factors for all reflections included in the refinement	0.1992
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
180531 (current)	2016-03-26	cif/7/22/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/22/00.	7220009.cif
138564	2015-06-07	cif/ Updating files of 7220009 Original log message: Adding full bibliography for 7220009.cif.	7220009.cif
134467	2015-03-28	cif/ Adding structures of 7220009 via cif-deposit CGI script.	7220009.cif