Crystallography Open Database

Information card for entry 7048238

Preview

Coordinates	7048238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cu2 I8 N6
Calculated formula	C10 H8 Cu2 I8 N6
Title of publication	An unusual cuprous iodide polymer incorporating I<sup>-</sup>, I<sub>2</sub> and I<sub>3</sub><sup>-</sup> structural units.
Authors of publication	Hu, Jun; Zhou, Jian; Cao, Shumei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	48
Pages of publication	17216 - 17220
a	15.105 ± 0.007 Å
b	9.426 ± 0.002 Å
c	17.316 ± 0.008 Å
α	90°
β	94.93 ± 0.05°
γ	90°
Cell volume	2456.3 ± 1.7 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
229728 (current)	2019-11-17	cif/ Updating files of 7048238 Original log message: Adding full bibliography for 7048238.cif.	7048238.cif
212177	2018-11-25	cif/ Adding structures of 7048238 via cif-deposit CGI script.	7048238.cif