Crystallography Open Database

Information card for entry 7028892

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Structure parameters

Formula	C42 H96 Ag6 P2 S6
Calculated formula	C42 H96 Ag6 P2 S6
Title of publication	N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.
Authors of publication	Najafabadi, Bahareh Khalili; Corrigan, John F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2104 - 2111
a	24.641 ± 0.009 Å
b	15.066 ± 0.005 Å
c	16.081 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5970 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7028892.cif
179994	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028892.cif
105455	2014-03-12	cif/ Adding structures of 7028885, 7028886, 7028887, 7028888, 7028889, 7028890, 7028891, 7028892 via cif-deposit CGI script.	7028892.cif