Crystallography Open Database

Information card for entry 7022093

7022092 << 7022093 >> 7022094

Preview

Coordinates	7022093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 F12 N2 P2 Pd S2
Calculated formula	C18 H20 F12 N2 P2 Pd S2
SMILES	[Pd]123[S](c4ccccc4C=[N]3CC[N]2=Cc2c([S]1C)cccc2)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.
Authors of publication	Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	2
Pages of publication	476 - 483
a	11.7171 ± 0.001 Å
b	9.479 ± 0.0008 Å
c	22.0703 ± 0.0019 Å
α	90°
β	92.692 ± 0.002°
γ	90°
Cell volume	2448.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0661
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1456
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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
179925 (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 7/02/20.	7022093.cif
89973	2013-11-17	cif/ Adding structures of 7022091, 7022092, 7022093, 7022094 via cif-deposit CGI script.	7022093.cif