Crystallography Open Database

Information card for entry 7028364

Preview

Coordinates	7028364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Fe N O2 P S
Calculated formula	C26 H26 Fe N O2 P S
SMILES	[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NCCSC)[c]1(P(=O)(c2ccccc2)c2ccccc2)[cH]5[cH]6[cH]7[cH]81
Title of publication	Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.
Authors of publication	Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	4
Pages of publication	1599 - 1608
a	10.5814 ± 0.0004 Å
b	11.0866 ± 0.0004 Å
c	11.8118 ± 0.0004 Å
α	69.962 ± 0.001°
β	64.83 ± 0.001°
γ	81.931 ± 0.001°
Cell volume	1178.15 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0477
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
179989 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/83.	7028364.cif
105294	2014-03-12	cif/ Adding structures of 7028363, 7028364, 7028365, 7028366, 7028367 via cif-deposit CGI script.	7028364.cif