Crystallography Open Database

Information card for entry 4302473

Preview

Coordinates	4302473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H47 B N6 S Zn
Calculated formula	C27 H47 B N6 S Zn
SMILES	[Zn]12(S)[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	9.95 ± 0.001 Å
b	16.036 ± 0.001 Å
c	19.411 ± 0.0001 Å
α	90°
β	104.71 ± 0.02°
γ	90°
Cell volume	2995.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.042
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4302473.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302473.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302473.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302473.cif