Crystallography Open Database

Information card for entry 4302628

Preview

Coordinates	4302628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 O20 Pb5
Calculated formula	C36 H22 O20 Pb5
SMILES	c1(c(cccc1)C(=O)[O-])C(=O)[O-].[Pb+2].[O-]C(=O)c2c(cccc2)C(=O)[O-].[O-]C(C)=O.[Pb+2].[Pb+2].c1(C(=O)[O-])c(cccc1)C(=O)[O-].[Pb+2].[O-]C(C)=O.[Pb+2].c1(c(cccc1)C(=O)[O-])C(=O)[O-]
Title of publication	Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D
Authors of publication	Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6517 - 6525
a	7.146 ± 0.003 Å
b	10.323 ± 0.004 Å
c	14.009 ± 0.006 Å
α	109.922 ± 0.015°
β	92.24 ± 0.02°
γ	105.002 ± 0.016°
Cell volume	929.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
179064 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/26.	4302628.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302628.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302628.cif
31986	2012-01-04	cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0	4302628.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302628.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302628.cif