Crystallography Open Database

Information card for entry 2236765

Preview

Coordinates	2236765.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(4-aminopyridinium) tetraiodidocadmate monohydrate
Formula	C10 H16 Cd I4 N4 O
Calculated formula	C10 H16 Cd I4 N4 O
SMILES	c1cc(cc[nH+]1)N.[I-][Cd](I)(I)[I-].O.c1cc(cc[nH+]1)N
Title of publication	Bis(4-aminopyridinium) tetraiodidocadmate monohydrate
Authors of publication	Sun, Qiaozhen; Liao, Songyi; Yao, Junjun; Wang, Junke; Fang, Qiongjiali
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	m1160 - m1161
a	7.3987 ± 0.0002 Å
b	14.7348 ± 0.0004 Å
c	18.7286 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2041.76 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2236765.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2236765.cif
70374	2012-12-21	cif/ Adding structures of 2236765 via cif-deposit CGI script.	2236765.cif