Crystallography Open Database

Information card for entry 4337285

Preview

Coordinates	4337285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H63 Ag6 B3 F18 N6 O2 S6
Calculated formula	C63 H63 Ag6 B3 F18 N6 O2 S6
SMILES	[Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c1cc4CC[S](c4ccc(F)cc4)[Ag][S](CC1)c1ccc(F)cc1)c1cc3CC[S](c3ccc(F)cc3)[Ag][S](CC1)c1ccc(F)cc1)c1cc2CC[S]([Ag][S](CC1)c1ccc(F)cc1)c1ccc(F)cc1.O=C(C)C.O=C(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Crowning of coinage metal pyrazolates: double-decker homo- and heteronuclear complexes with synergic emissive properties.
Authors of publication	Veronelli, Mattia; Kindermann, Nicole; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	4
Pages of publication	2333 - 2341
a	10.1694 ± 0.0006 Å
b	14.6453 ± 0.0011 Å
c	25.6313 ± 0.0016 Å
α	95.254 ± 0.005°
β	96.414 ± 0.005°
γ	104.966 ± 0.005°
Cell volume	3635.9 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179475 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72.	4337285.cif
106258	2014-03-15	cif/ Adding structures of 4337283, 4337284, 4337285 via cif-deposit CGI script.	4337285.cif