Crystallography Open Database

Information card for entry 2311413

Preview

Coordinates	2311413.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(<i>N</i>,<i>N</i>'-dicyclohexylamidinatocarboranate)tin(II)
Formula	C30 H66 B20 N4 Sn
Calculated formula	C30 H66 B20 N4 Sn
SMILES	C1(=[N](C2CCCCC2)[Sn]2([C]3456[C]7891[BH]1%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%1237[BH]3%10%11[BH]751[BH]684[BH]9%1237)[C]1345[C]678(C(=[N]2C2CCCCC2)NC2CCCCC2)[BH]291[BH]1%106[BH]6%119[BH]942[BH]245[BH]537[BH]381[BH]1%106[BH]253[BH]%11941)NC1CCCCC1
Title of publication	Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.
Authors of publication	Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1443 - 1448
a	10.9097 ± 0.0003 Å
b	12.9481 ± 0.0003 Å
c	15.4066 ± 0.0004 Å
α	97.78 ± 0.002°
β	99.924 ± 0.002°
γ	99.003 ± 0.002°
Cell volume	2087.68 ± 0.1 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
245866 (current)	2019-12-25	cif/ Adding structures of 2311413, 2311414 via cif-deposit CGI script.	2311413.cif