Crystallography Open Database

Information card for entry 7210206

Preview

Coordinates	7210206.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(2-amino-5-bromopyridinium) diaquatrichlorocuprate chloride
Formula	C10 H16 Br2 Cl4 Cu N4 O2
Calculated formula	C10 H15.8368 Br2 Cl4 Cu 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	7.948 ± 0.002 Å
b	16.162 ± 0.005 Å
c	14.896 ± 0.004 Å
α	90°
β	95.18 ± 0.004°
γ	90°
Cell volume	1905.7 ± 0.9 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	7
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	0.0363
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
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.	7210206.cif
87060	2013-07-13	cif/ Adding structures of 7210203, 7210204, 7210205, 7210206 via cif-deposit CGI script.	7210206.cif