Crystallography Open Database

Information card for entry 1549531

Preview

Coordinates	1549531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 O9 Pb2
Calculated formula	C10 H2 O9 Pb2
SMILES	[Pb+2].[O-]C(=O)c1c(C(=O)[O-])cc(C(=O)[O-])c(C(=O)[O-])c1.[Pb+2].O
Title of publication	M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations
Authors of publication	Köferstein, Roberto; Robl, Christian
Journal of publication	Zeitschrift für anorganische und allgemeine Chemie
Year of publication	2015
Journal volume	641
Journal issue	6
Pages of publication	1150
a	7.567 ± 0.001 Å
b	17.228 ± 0.002 Å
c	8.902 ± 0.002 Å
α	90°
β	113.59 ± 0.01°
γ	90°
Cell volume	1063.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0479
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for all reflections	0.1062
Weighted residual factors for significantly intense reflections	0.1042
Goodness-of-fit parameter for all reflections	1.706
Goodness-of-fit parameter for significantly intense reflections	1.8
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
208272 (current)	2018-06-12	cif/ Adding structures of 1549531 via cif-deposit CGI script.	1549531.cif