Crystallography Open Database

Information card for entry 4302470

Preview

Coordinates	4302470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H61 B N6 S2 Zn
Calculated formula	C46 H61 B N6 S2 Zn
SMILES	[Zn]12(SSC(c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n([BH](n4[n]1c(cc4C(C)C)C(C)C)n1[n]2c(cc1C(C)C)C(C)C)c(cc3C(C)C)C(C)C
Title of publication	Synthesis, Characterization, and Reactivity of Alkyldisulfanido Zinc Complexes
Authors of publication	Erwan Galardon; Alain Tomas; Mohamed Selkti; Pascal Roussel; Isabelle Artaud
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	5921 - 5927
a	9.713 ± 0.001 Å
b	14.894 ± 0.001 Å
c	16.308 ± 0.001 Å
α	84.45 ± 0.01°
β	89.09 ± 0.01°
γ	84.25 ± 0.01°
Cell volume	2336.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1377
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
179062 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/24.	4302470.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302470.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302470.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302470.cif