Crystallography Open Database

Information card for entry 7210203

Preview

Coordinates	7210203.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis-(2-amino-5-iodopyridinium) diaquatrichlorocuprate chloride
Formula	C10 H16 Cl4 Cu I2 N4 O2
Calculated formula	C10 H16 Cl4 Cu I2 N4 O2
Title of publication	Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there
Authors of publication	Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	21
Pages of publication	4309
a	4.0678 ± 0.0001 Å
b	16.2705 ± 0.0006 Å
c	14.8387 ± 0.0005 Å
α	90°
β	96.127 ± 0.002°
γ	90°
Cell volume	976.49 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0221
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180433 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/02.	7210203.cif
87060	2013-07-13	cif/ Adding structures of 7210203, 7210204, 7210205, 7210206 via cif-deposit CGI script.	7210203.cif