Crystallography Open Database

Information card for entry 7001667

Preview

Coordinates	7001667.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dichloro(mu-(1,3-di-tert-butyl-N,N,N',N-tetraethyl- (1,3,2,4)diazadiphosphetidine-2,4-diamine)digold(i)
Chemical name	Dichloro(μ-(1,3-di-tert-butyl-N,N,N',N-tetraethyl- [1,3,2,4]diazadiphosphetidine-2,4-diamine)digold(I)
Formula	C16 H38 Au2 Cl2 N4 P2
Calculated formula	C16 H38 Au2 Cl2 N4 P2
SMILES	[Au](Cl)[P]1(N(C(C)(C)C)[P]([Au]Cl)(N1C(C)(C)C)N(CC)CC)N(CC)CC
Title of publication	Gold(i) complexes of cyclodiphosphazanes cis-{RP(μ-NtBu)}2: structure of a novel tetranuclear gold(i) macrocycle, [{Au{(o-MeOC6H4O)P(μ-NtBu)}2}4](ClO4)4
Authors of publication	Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	28
Pages of publication	5478 - 5486
a	16.954 ± 0.001 Å
b	16.68 ± 0.001 Å
c	17.748 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5019 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0427
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179714 (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 7/00/16.	7001667.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001667.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001667.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.	7001667.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001667.cif