Crystallography Open Database

Information card for entry 7009948

Preview

Coordinates	7009948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131 H81.5 N0.5 Ni12.55 O34 P4 Pd13.45
Calculated formula	C131 H81.5 N0.5 Ni12.542 O34 P4 Pd13.458
Title of publication	High-nuclearity [Pd13Ni13(CO)34]4− containing a 26-atom Pd13Ni13 core with an unprecedented five-layer close-packed triangular stacking geometry: possible substitutional Pd/Ni crystal disorder at specific intralayer nickel sites †
Authors of publication	Tran, Nguyet T.; Kawano, Masaki; Powell, Douglas R.; Dahl, Lawrence F.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	22
Pages of publication	4138
a	17.226 Å
b	17.937 Å
c	22.828 ± 0.0001 Å
α	82.43°
β	87.58°
γ	70.6°
Cell volume	6594.99 ± 0.03 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0594
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009948.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009948.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009948.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009948.cif