Crystallography Open Database

Information card for entry 4511036

Preview

Coordinates	4511036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H48 N12 O9 Pb2
Calculated formula	C58 H44 N12 O9 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	8.8647 ± 0.0018 Å
b	10.648 ± 0.002 Å
c	27.091 ± 0.005 Å
α	100.12 ± 0.03°
β	90.24 ± 0.03°
γ	91.79 ± 0.03°
Cell volume	2516 ± 0.9 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	0.0633
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	4511036.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.	4511036.cif