Crystallography Open Database

Information card for entry 4001405

Preview

Coordinates	4001405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 F2 O6 Pb2 S2
Calculated formula	C2 H4 F2 O6 Pb2 S2
Title of publication	A Metal−Organic Framework Containing Cationic Inorganic Layers: Pb2F2[C2H4(SO3)2]
Authors of publication	Rogow, David L.; Zapeda, Gustavo; Swanson, Claudia H.; Fan, Xiaojuan; Oliver, Allen G.; Oliver, Scott R. J.
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	19
Pages of publication	4658
a	21.4829 ± 0.001 Å
b	4.6185 ± 0.0002 Å
c	8.8453 ± 0.0004 Å
α	90°
β	100.362 ± 0.001°
γ	90°
Cell volume	863.31 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0883
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001405.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001405.cif
45241	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001405 via cif-deposit CGI script.	4001405.cif