Crystallography Open Database

Information card for entry 7041326

Preview

Coordinates	7041326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H66 Cl6 O27 Zn3
Calculated formula	C73 H53 Cl6 O27 Zn3
Title of publication	Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.
Authors of publication	Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	2
Pages of publication	465 - 470
a	36.5743 ± 0.0005 Å
b	36.5743 ± 0.0005 Å
c	52.9725 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	70860 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.2346
Residual factor for significantly intense reflections	0.2093
Weighted residual factors for significantly intense reflections	0.4662
Weighted residual factors for all reflections included in the refinement	0.489
Goodness-of-fit parameter for all reflections included in the refinement	1.782
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191592 (current)	2017-02-04	cif/ Updating files of 7041325, 7041326 Original log message: Adding full bibliography for 7041325--7041326.cif.	7041326.cif
188967	2016-12-06	cif/ Adding structures of 7041325, 7041326 via cif-deposit CGI script.	7041326.cif