Crystallography Open Database

Information card for entry 4336253

Preview

Coordinates	4336253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Br3 O13 Pb10
Calculated formula	B3 Br3 O13 Pb10
Title of publication	Special \ιnfty1[OPb2] Chains and \ιnfty1[O2Pb3] Ribbons Based on OPb4 Anion-Centered Tetrahedra in Pb2(O4Pb8)(BO3)3Br3 and Pb2(O8Pb12)(BO3)2Br6
Authors of publication	Lingyun Dong; Shilie Pan; Ying Wang; Hongwei Yu; Xiaoyu Dong; Shujuan Han; Min Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11377 - 11384
a	16.482 ± 0.009 Å
b	8.947 ± 0.005 Å
c	16.645 ± 0.009 Å
α	90°
β	114.337 ± 0.006°
γ	90°
Cell volume	2236 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179465 (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 4/33/62.	4336253.cif
102230	2014-02-19	cif/ Adding structures of 4336253 via cif-deposit CGI script.	4336253.cif