Crystallography Open Database

Information card for entry 4511044

Preview

Coordinates	4511044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H37 N8 O13 Pb2
Calculated formula	C54 H32 N8 O13 Pb2
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	9.3797 ± 0.0003 Å
b	9.4191 ± 0.0003 Å
c	15.6963 ± 0.0005 Å
α	101.071 ± 0.002°
β	90.383 ± 0.003°
γ	114.053 ± 0.003°
Cell volume	1237.17 ± 0.08 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	0.0278
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4511044.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.	4511044.cif