Crystallography Open Database

Information card for entry 7206499

7206498 << 7206499 >> 7206500

Preview

Coordinates	7206499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 N2 O7 Pb S
Calculated formula	C20 H12 N2 O7 Pb S
Title of publication	Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate
Authors of publication	Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5915
a	7.0908 ± 0.0005 Å
b	10.8703 ± 0.0008 Å
c	26.4114 ± 0.0017 Å
α	90°
β	97.608 ± 0.001°
γ	90°
Cell volume	2017.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0491
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
180395 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/64.	7206499.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206499.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206499.cif
28000	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206499, 7206500, 7206501, 7206502, 7206503, 7206504 via cif-deposit CGI script.	7206499.cif