Crystallography Open Database

Information card for entry 7009949

Preview

Coordinates	7009949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131 H81.5 N0.5 Ni13 O34 P4 Pd13
Calculated formula	C131 H81.5 N0.5 Ni13 O34 P4 Pd13
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	17.206 ± 0.002 Å
b	18.04 ± 0.002 Å
c	22.93 ± 0.003 Å
α	82.32 ± 0.002°
β	87.301 ± 0.002°
γ	70.26 ± 0.002°
Cell volume	6639 ± 1.4 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	0.0915
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2738
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
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.	7009949.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009949.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009949.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009949.cif