Crystallography Open Database

Information card for entry 7116389

Preview

Coordinates	7116389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H167 Ag12 N12 O0.5 P6 Si6
Calculated formula	C98 H167 Ag12 N12 O0.5 P6 Si6
Title of publication	N-Heterocyclic carbene stabilized Ag-P nanoclusters
Authors of publication	Bahareh Khalili Najafabadi; John F. Corrigan
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	665
a	15.889 ± 0.008 Å
b	18.207 ± 0.012 Å
c	23.994 ± 0.015 Å
α	90°
β	95.206 ± 0.015°
γ	90°
Cell volume	6913 ± 7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116389.cif
129632	2015-01-14	cif/ Adding structures of 7116389, 7116390 via cif-deposit CGI script.	7116389.cif