Crystallography Open Database

Information card for entry 4064796

Preview

Coordinates	4064796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H95 Au Cl P Si
Calculated formula	C62 H95 Au Cl P Si
Title of publication	Neutral and Cationic Gold(I) Complexes with π-Conjugated Phosphasilene Ligands
Authors of publication	Li, Baolin; Matsuo, Tsukasa; Fukunaga, Takeo; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3453
a	12.8017 ± 0.0017 Å
b	13.4737 ± 0.0018 Å
c	32.998 ± 0.004 Å
α	90°
β	95.547 ± 0.002°
γ	90°
Cell volume	5665 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.057
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
178541 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/47.	4064796.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064796.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064796.cif
33049	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064796, 4064797, 4064798 via cif-deposit CGI script.	4064796.cif