Crystallography Open Database

Information card for entry 7027745

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Coordinates	7027745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H49 N12 O Pd4 S4
Calculated formula	C42 H49 N12 O Pd4 S4
Title of publication	Formation, characterization, and structural studies of novel thiosemicarbazone palladium(II) complexes. Crystal structures of [{Pd[C6H4C(Et)NNC(S)NH2]}4], [Pd{C6H4C(Et)NN C(S)NH2}(PMePh2)] and [{Pd[C6H4C(Et)NNC(S)NH2]}2(μ-Ph2PCH2PPh2)]
Authors of publication	Vila, José M.; Pereira, Ma Teresa; Ortigueira, Juan M.; Graña, María; Lata, Darío; Suárez, Antonio; Fernández, Jesús J.; Fernández, Alberto; López-Torres, Margarita; Adams, Harry
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	23
Pages of publication	4193
a	12.0858 ± 0.0002 Å
b	30.0403 ± 0.0003 Å
c	17.695 ± 0.0003 Å
α	90°
β	108.709 ± 0.0006°
γ	90°
Cell volume	6084.9 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0728
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
179983 (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 7/02/77.	7027745.cif
95716	2014-01-28	cif/ Adding structures of 7027745, 7027746, 7027747 via cif-deposit CGI script.	7027745.cif