Crystallography Open Database

Information card for entry 7011013

Preview

Coordinates	7011013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H95 Ag16 Ni24 O43.5 P4
Calculated formula	C127 H95 Ag16 Ni24 O43.5 P4
Title of publication	First-known high-nuclearity silver‒nickel carbonyl cluster: nanosized [Ag16Ni24(CO)40]4− possessing a new 40-atom cubic Td closed-packed metal-core geometry
Authors of publication	Jianming Zhang; Lawrence F. Dahl
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	7
Pages of publication	1269 - 1274
a	20.0344 ± 0.0006 Å
b	26.3787 ± 0.0006 Å
c	30.2923 ± 0.0008 Å
α	90°
β	92.933 ± 0.002°
γ	90°
Cell volume	15987.9 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1688
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.1829
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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.	7011013.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011013.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011013.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011013.cif