Crystallography Open Database

Information card for entry 4313614

Preview

Coordinates	4313614.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(i-PrNC)AuCN*0.5CH2CL2
Formula	C5.5 H8 Au Cl N2
Calculated formula	C7.75 H10.5 Au1.5 Cl0.5 N3
Title of publication	New Structural Motifs in the Aggregation of Neutral Gold(I) Complexes: Structures and Luminescence from (Alkyl isocyanide)AuCN
Authors of publication	Rochelle L. White-Morris; Matthias Stender; Dino S. Tinti; Alan L. Balch; Daniel Rios; Saeed Attar
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3237 - 3244
a	10.9649 ± 0.0006 Å
b	12.3442 ± 0.0007 Å
c	16.9844 ± 0.001 Å
α	90°
β	95.405 ± 0.001°
γ	90°
Cell volume	2288.7 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4313614.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313614.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313614.cif
6683	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313614 via cif-deposit CGI script.	4313614.cif