Crystallography Open Database

Information card for entry 7008816

Preview

Coordinates	7008816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Fe2 O6 P2 S6
Calculated formula	C30 H46 Fe2 O6 P2 S6
Title of publication	A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).
Authors of publication	Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	24
Pages of publication	3909 - 3912
a	10.76 ± 0.002 Å
b	17.02 ± 0.003 Å
c	11.3 ± 0.002 Å
α	90°
β	109.91 ± 0.03°
γ	90°
Cell volume	1945.7 ± 0.7 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1527
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.234
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
189767 (current)	2017-01-03	cif/7/00/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7008814, 7008816.	7008816.cif
179792	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/88.	7008816.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008816.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008816.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008816.cif