Crystallography Open Database

Information card for entry 7022092

7022091 << 7022092 >> 7022093

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Coordinates	7022092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 F6 N2 P Pd S2
Calculated formula	C17 H17 F6 N2 P Pd S2
SMILES	C[S]1[Pd]23[N](=Cc4c1cccc4)CC[N]2=Cc1ccccc1S3.[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	14.4109 ± 0.001 Å
b	8.1051 ± 0.0005 Å
c	17.2294 ± 0.0012 Å
α	90°
β	97.665 ± 0.002°
γ	90°
Cell volume	1994.4 ± 0.2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7022092.cif
89973	2013-11-17	cif/ Adding structures of 7022091, 7022092, 7022093, 7022094 via cif-deposit CGI script.	7022092.cif