Crystallography Open Database

Information card for entry 7001060

Preview

Coordinates	7001060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Au Cl P2
Calculated formula	C36 H30 Au Cl P2
Title of publication	Photocrystallographic analysis of [AuCl(PPh3)2] for elucidation of the crystal packing effect on the photophysical properties
Authors of publication	Hoshino, Manabu; Uekusa, Hidehiro; Sonoda, Shintaro; Otsuka, Takuhiro; Kaizu, Youkoh
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	16
Pages of publication	3085 - 3091
a	10.8751 ± 0.0002 Å
b	11.8388 ± 0.0002 Å
c	14.2303 ± 0.0003 Å
α	113.573 ± 0.0012°
β	95.1053 ± 0.001°
γ	109.392 ± 0.0011°
Cell volume	1530.97 ± 0.06 Å³
Cell temperature	215 ± 2 K
Ambient diffraction temperature	215 ± 2 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	0.0167
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179688 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/10.	7001060.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001060.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001060.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001060.cif