Crystallography Open Database

Information card for entry 4500541

Preview

Coordinates	4500541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O11 Pb2
Calculated formula	C20 H22 O11 Pb2
Title of publication	Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural Diversities Built on a Kinked Flexible Dicarboxylate Building Block
Authors of publication	Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Zhang, Ya-Nan; Shi, Qi-Zhen; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	936
a	6.9718 ± 0.0005 Å
b	18.1744 ± 0.0013 Å
c	8.9804 ± 0.0007 Å
α	90°
β	96.357 ± 0.001°
γ	90°
Cell volume	1130.89 ± 0.14 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179536 (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 4/50/05.	4500541.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500541.cif
34539	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500541, 4500542 via cif-deposit CGI script.	4500541.cif