Crystallography Open Database

Information card for entry 4070495

Preview

Coordinates	4070495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H47 P3 Pd Si
Calculated formula	C55 H47 P3 Pd Si
Title of publication	Bis(o-phosphinophenyl)silane as a Scaffold for Dynamic Behavior of H−Si and C−Si Bonds with Palladium(0)
Authors of publication	Takaya, Jun; Iwasawa, Nobuharu
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	23
Pages of publication	6636
a	16.617 ± 0.006 Å
b	10.69 ± 0.004 Å
c	25.34 ± 0.008 Å
α	90°
β	93.252 ± 0.012°
γ	90°
Cell volume	4494 ± 3 Å³
Cell temperature	83 ± 2 K
Ambient diffraction temperature	83 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178593 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/04.	4070495.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070495.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070495.cif
40740	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070495, 4070496 via cif-deposit CGI script.	4070495.cif