Crystallography Open Database

Information card for entry 4322055

4322054 << 4322055 >> 4322056

Preview

Coordinates	4322055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H166 B2 Fe2 Ge N12 S6
Calculated formula	C138 H166 B2 Fe2 Ge N12 S6
Title of publication	Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane)
Authors of publication	Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	2632 - 2642
a	13.531 ± 0.001 Å
b	16.578 ± 0.002 Å
c	17.199 ± 0.002 Å
α	100.06 ± 0.02°
β	112.15 ± 0.02°
γ	112.01 ± 0.02°
Cell volume	3080.4 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1612
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for all reflections	0.1896
Weighted residual factors for significantly intense reflections	0.1366
Goodness-of-fit parameter for all reflections	1.075
Goodness-of-fit parameter for significantly intense reflections	1.105
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
179323 (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 4/32/20.	4322055.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4322055.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322055.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322055.cif
19945	2011-05-31	../uploads/cif-deposit/cod/cif Adding structures of 4322055 via cif-deposit CGI script.	4322055.cif