Crystallography Open Database

Information card for entry 7110306

Preview

Coordinates	7110306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 Ag2 B2 F8 N8 Ni4 S8
Calculated formula	C32 H56 Ag2 B2 F8 N8 Ni4 S8
SMILES	[Ag]12([S]3[Ni]45[N](=C(C(=[N]5CC3)C)C)CC[S]4[Ag]([S]3[Ni]45[S]1CC[N]5=C(C(=[N]4CC3)C)C)[S]1[Ni]34[N](=C(C(=[N]4CC[S]23)C)C)CC1)[S]1[Ni]23[N](=C(C(=[N]3CC1)C)C)CCS2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Novel aggregation of [Ni(thiolato)2(amine)2]-type square planes assisted by silver(i) ions
Authors of publication	Konno, Takumi; Usami, Masafumi; Hirotsu, Masakazu; Yoshimura, Takashi; Kawamoto, Tatsuya
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	20
Pages of publication	2296 - 2297
a	13.438 ± 0.002 Å
b	20.621 ± 0.005 Å
c	18.811 ± 0.003 Å
α	90°
β	93.03 ± 0.01°
γ	90°
Cell volume	5205.3 ± 1.7 Å³
Cell temperature	296.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7110306.cif
94354	2014-01-23	cif/ Adding structures of 7110305, 7110306 via cif-deposit CGI script.	7110306.cif