Crystallography Open Database

Information card for entry 7212705

Preview

Coordinates	7212705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Ca O9 Pb S
Calculated formula	C18 H14 Ca O9 Pb S
Title of publication	A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities
Authors of publication	Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4252
a	10.143 ± 0.002 Å
b	12.709 ± 0.003 Å
c	16.795 ± 0.004 Å
α	90°
β	107.036 ± 0.004°
γ	90°
Cell volume	2070 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212705.cif
93240	2014-01-12	cif/ Adding structures of 7212703, 7212704, 7212705, 7212706, 7212707, 7212708 via cif-deposit CGI script.	7212705.cif