Crystallography Open Database

Information card for entry 7006439

Preview

Coordinates	7006439.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dichloro(bis(2-diphenylphosphinoxynaphthalen-1-yl) methane)digold(I)
Formula	C45 H34 Au2 Cl2 O2 P2
Calculated formula	C45 H34 Au2 Cl2 O2 P2
SMILES	[Au](Cl)[P](Oc1ccc2ccccc2c1Cc1c2ccccc2ccc1O[P]([Au]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins.
Authors of publication	Punji, Benudhar; Mague, Joel T.; Balakrishna, Maravanji S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	10
Pages of publication	1322 - 1330
a	16.935 ± 0.002 Å
b	12.521 ± 0.002 Å
c	20.62 ± 0.003 Å
α	90°
β	98.936 ± 0.002°
γ	90°
Cell volume	4319.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0728
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.268
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
179768 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64.	7006439.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006439.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006439.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7006439.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006439.cif