Crystallography Open Database

Information card for entry 4321676

Preview

Coordinates	4321676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H32 F72 O Pb5 S8
Calculated formula	C86 H32 F72 O Pb5 S8
Title of publication	Formation and Structure of the Oxygen-Centered Lead Thiolate Cluster Pb5O(SRF)8.2C7H8 [RF= 2,4,6-Tris(trifluoromethyl)phenyl]
Authors of publication	Frank T. Edelmann; Jan-Karel F. Buijink; Sally A. Brooker; Regine Herbst-Irmer; Ulrike Kilimann; Frank M. Bohnen
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	6134 - 6135
a	17.385 ± 0.004 Å
b	18.104 ± 0.005 Å
c	20.073 ± 0.005 Å
α	68.2 ± 0.01°
β	78.21 ± 0.01°
γ	70.81 ± 0.01°
Cell volume	5516 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
179319 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/16.	4321676.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321676.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321676.cif
19441	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321676 via cif-deposit CGI script.	4321676.cif