Crystallography Open Database

Information card for entry 2300488

Preview

Coordinates	2300488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br0.1 Cl0.9 Cu6 O8 Pb
Calculated formula	Br0.103 Cl0.897 Cu6 O8 Pb
Title of publication	Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
Authors of publication	Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar
Journal of publication	Journal of Applied Crystallography
Year of publication	2015
Journal volume	48
Journal issue	1
a	9.2164 ± 0.0002 Å
b	9.2164 ± 0.0002 Å
c	9.2164 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	782.86 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.218
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2300488.cif
128857	2014-12-20	cif/ hkl/ Adding structures of 2300485, 2300486, 2300487, 2300488, 2300489, 2300490, 2300491, 2300492, 2300493, 2300494, 2300495, 2300496 via cif-deposit CGI script.	2300488.cif