Crystallography Open Database

Information card for entry 7036638

Preview

Coordinates	7036638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 I4 N4
Calculated formula	C6 H10 I4 N4
Title of publication	Unprecedented transformation of [I(-)·I3(-)] to [I4(2-)] polyiodides in the solid state: structures, phase transitions and characterization of dipyrazolium iodide triiodide.
Authors of publication	Węcławik, M; Szklarz, P.; Medycki, W.; Janicki, R.; Piecha-Bisiorek, A; Zieliński, P; Jakubas, R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18447 - 18458
a	14.162 ± 0.006 Å
b	7.913 ± 0.003 Å
c	13.627 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1527.1 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171278 (current)	2015-12-09	cif/ Updating files of 7036637, 7036638 Original log message: Adding full bibliography for 7036637--7036638.cif.	7036638.cif
158269	2015-09-24	cif/ Adding structures of 7036637, 7036638 via cif-deposit CGI script.	7036638.cif