Crystallography Open Database

Information card for entry 4502439

Preview

Coordinates	4502439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 F O3 Pb S
Calculated formula	C2 H4 F O3 Pb S
Title of publication	Hydrothermal Synthesis and Characterization of Three Cationic Inorganic−Organic Hybrid Materials Based on Lead Fluoride
Authors of publication	Rogow, David L.; Russell, Matthew P.; Wayman, Lora M.; Swanson, Claudia H.; Oliver, Allen G.; Oliver, Scott R. J.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	823
a	26.455 ± 0.003 Å
b	4.6117 ± 0.0006 Å
c	8.8053 ± 0.0011 Å
α	90°
β	97.715 ± 0.002°
γ	90°
Cell volume	1064.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0309
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179555 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/24.	4502439.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502439.cif
36416	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502439 via cif-deposit CGI script.	4502439.cif