Crystallography Open Database

Information card for entry 7031674

Preview

Coordinates	7031674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H80 N20 O16 Pb2 S8
Calculated formula	C72 H76 N20 O16 Pb2 S8
Title of publication	Hemi- and holo-directed lead(II) complexes in a soft ligand environment.
Authors of publication	Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	3
Pages of publication	924 - 937
a	25.8252 ± 0.0002 Å
b	20.757 ± 0.0002 Å
c	15.896 ± 0.0002 Å
α	90°
β	90.06 ± 0.0006°
γ	90°
Cell volume	8521.1 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180022 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/16.	7031674.cif
131033	2015-02-04	cif/ Updating files of 7031671, 7031672, 7031673, 7031674, 7031675, 7031676, 7031677, 7031678, 7031679, 7031680 Original log message: Adding full bibliography for 7031671--7031680.cif.	7031674.cif
120520	2014-07-17	cif/ Adding structures of 7031671, 7031672, 7031673, 7031674, 7031675, 7031676, 7031677, 7031678, 7031679, 7031680 via cif-deposit CGI script.	7031674.cif