Crystallography Open Database

Information card for entry 4511043

Preview

Coordinates	4511043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H40 N8 O8 Pb2
Calculated formula	C66 H40 N8 O8 Pb2
SMILES	C1(=O)c2ccccc2c2c(cccc2)C(=O)O[Pb]2([n]3cccc4c3c3[n]2cccc3c2nc([nH]c42)c2ccccc2)OC(=O)c2ccccc2c2c(cccc2)C(=O)O[Pb]2([n]3cccc4c3c3[n]2cccc3c2nc([nH]c42)c2ccccc2)O1
Title of publication	A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands
Authors of publication	Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1894
a	10.06 ± 0.002 Å
b	11.932 ± 0.002 Å
c	12.059 ± 0.002 Å
α	93.42 ± 0.03°
β	91.98 ± 0.03°
γ	112.88 ± 0.03°
Cell volume	1328.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511043.cif
114675	2014-05-29	cif/ Adding structures of 4511034, 4511035, 4511036, 4511037, 4511038, 4511039, 4511040, 4511041, 4511042, 4511043, 4511044, 4511045 via cif-deposit CGI script.	4511043.cif