Crystallography Open Database

Information card for entry 4332259

Preview

Coordinates	4332259.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lead oxide bromide/chloride
Formula	Br1.25 Cl O2.75 Pb3.88
Calculated formula	Br1.25 Cl O2.75 Pb3.875
Title of publication	Particular Topological Complexity of Lead Oxide Blocks in Pb31O22X18(X = Br, Cl)
Authors of publication	Krivovichev, Sergey V.; Siidra, Oleg I.; Nazarchuk, Evgenii V.; Burns, Peter C.; Depmeier, Wulf
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	3846 - 3848
a	12.1192 ± 0.0007 Å
b	16.2489 ± 0.001 Å
c	18.3007 ± 0.0011 Å
α	93.104 ± 0.002°
β	95.809 ± 0.002°
γ	111.252 ± 0.001°
Cell volume	3325.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	0.798
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
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332259.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4332259.cif
98197	2014-01-29	cif/ Adding structures of 4332259 via cif-deposit CGI script.	4332259.cif