Crystallography Open Database

Information card for entry 7050954

Preview

Coordinates	7050954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 Cl I5 N5 O
Calculated formula	C5 H9 Cl I5 N5 O
Title of publication	Novel sheet-like supramolecular architectures constructed from infinite hydrogen-bonded, protonated adenine???water???halide and polyiodide ribbons
Authors of publication	Cheng, Ya-Jun; Wang, Zhe-Ming; Liao, Chun-Sheng; Yan, Chun-Hua
Journal of publication	New Journal of Chemistry
Year of publication	2002
Journal volume	26
Journal issue	10
Pages of publication	1360
a	8.2477 ± 0.0002 Å
b	10.7053 ± 0.0003 Å
c	10.4233 ± 0.0003 Å
α	103.085 ± 0.0011°
β	91.7871 ± 0.0015°
γ	100.806 ± 0.0011°
Cell volume	877.91 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7050954.html