Crystallography Open Database

Information card for entry 4347799

Preview

Coordinates	4347799.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ni(tren)(ma)(H2O)]2[Sn2S6]*4H2O
Chemical name	'[Ni(C6H18N4)(CH5N)(H2O)]2[Sn2S6]*4H2O'
Formula	C14 H58 N10 Ni2 O6 S6 Sn2
Calculated formula	C14 H58 N10 Ni2 O6 S6 Sn2
SMILES	C1C[NH2][Ni]23([N]1(CC[NH2]2)CC[NH2]3)([NH2]C)[OH2].O.O.[S-][Sn]1([S-])S[Sn]([S-])([S-])S1.C1C[NH2][Ni]23([N]1(CC[NH2]2)CC[NH2]3)([NH2]C)[OH2].O.O
Title of publication	Room-Temperature Synthesis of Thiostannates from {[Ni(tren)]2[Sn2S6]}n.
Authors of publication	Hilbert, Jessica; Näther, Christian; Weihrich, Richard; Bensch, Wolfgang
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	16
Pages of publication	7859 - 7865
a	11.1715 ± 0.0003 Å
b	10.5384 ± 0.0003 Å
c	15.8594 ± 0.0005 Å
α	90°
β	101.833 ± 0.002°
γ	90°
Cell volume	1827.45 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
232505 (current)	2019-11-23	cif/ Adding structures of 4347799 via cif-deposit CGI script.	4347799.cif