Crystallography Open Database

Information card for entry 4080074

Preview

Coordinates	4080074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 P2 Pd Si4
Calculated formula	C54 H48 P2 Pd Si4
SMILES	c12ccccc2c2c(cccc2)[Si]21[Pd]1([P](C)(C)CC[P]1(C)C)[Si]1(c3c(cccc3)c3c1cccc3)[Si]1([Si]32c2c(cccc2)c2c3cccc2)c2c(cccc2)c2c1cccc2
Title of publication	Nickel-Catalyzed Cyclopolymerization of Hexyl- and Phenylsilanes
Authors of publication	Tanabe, Makoto; Takahashi, Atsushi; Fukuta, Tomoko; Osakada, Kohtaro
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	4
Pages of publication	1037
a	14.447 ± 0.003 Å
b	14.447 ± 0.003 Å
c	22.606 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4718.2 ± 1.7 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178689 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/00.	4080074.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4080074.cif
74544	2013-02-28	cif/ Adding structures of 4080074 via cif-deposit CGI script.	4080074.cif