Crystallography Open Database

Information card for entry 1556554

Preview

Coordinates	1556554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H78 N4 Pd4 Si3
Calculated formula	C41.5 H78 N4 Pd4 Si3
SMILES	C(#[N]C(C)(C)C)[Pd]1[Si]2([Pd]3[Si]([Pd]2(C#[N]C(C)(C)C)C#[N]C(C)(C)C)(C(C)C)(C(C)C)[Pd](C#[N]C(C)(C)C)[Si]13(C(C)C)C(C)C)(C(C)C)C(C)C.c1(C)ccccc1
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	10.8179 ± 0.0006 Å
b	22.0783 ± 0.0012 Å
c	22.8654 ± 0.0012 Å
α	90°
β	92.1391 ± 0.0012°
γ	90°
Cell volume	5457.4 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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	0.0537
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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.	1556554.cif