Crystallography Open Database

Information card for entry 7226246

Preview

Structure parameters

Formula	C8 H5 Cl2 O3 Tl
Calculated formula	C8 H5 Cl2 O3 Tl
Title of publication	Solid-state Conversion of Double Helix Thallium(I) Coordination Polymer to Corrugated Tape Silver(I) Polymer
Authors of publication	Moeinian, Maryam; Akhbari, Kamran; Kawata, Satoshi; Ishikawa, Ryuta
Journal of publication	RSC Adv.
Year of publication	2016
a	17.903 ± 0.002 Å
b	3.9651 ± 0.0005 Å
c	13.9329 ± 0.0016 Å
α	90°
β	98.904 ± 0.004°
γ	90°
Cell volume	977.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226246.cif
185820	2016-08-16	cif/ Adding structures of 7226246 via cif-deposit CGI script.	7226246.cif