Crystallography Open Database

Information card for entry 1556555

Preview

Coordinates	1556555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H100 N6 Pd4 Si3
Calculated formula	C51 H100 N6 Pd4 Si3
SMILES	[Pd]12([Pd]3456[Pd]([Si]14(C(C)C)C(C)C)([Si]5([Pd]3([Si]26(C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)(C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
Title of publication	Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane
Authors of publication	Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	84
a	14.505 ± 0.003 Å
b	15.339 ± 0.004 Å
c	15.655 ± 0.004 Å
α	89.593 ± 0.012°
β	63.724 ± 0.006°
γ	81.301 ± 0.011°
Cell volume	3080.2 ± 1.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245052 (current)	2019-12-13	cif/ Adding structures of 1556554, 1556555, 1556556 via cif-deposit CGI script.	1556555.cif