Crystallography Open Database

Information card for entry 4336050

Preview

Coordinates	4336050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H74 Au4 Ni6 O10 P4
Calculated formula	C89 H74 Au4 Ni6 O10 P4
Title of publication	Intramolecular d10-d10Interactions in a Ni6C(CO)9(AuPPh3)4 Bimetallic Nickel-Gold Carbide Carbonyl Cluster
Authors of publication	Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Andrea Ienco; Giuliano Longoni; Gabriele Manca; Stefano Zacchini
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10559 - 10565
a	15.493 ± 0.002 Å
b	22.922 ± 0.004 Å
c	24.49 ± 0.004 Å
α	90°
β	90.978 ± 0.002°
γ	90°
Cell volume	8696 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0959
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179463 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60.	4336050.cif
102020	2014-02-19	cif/ Adding structures of 4336050 via cif-deposit CGI script.	4336050.cif