Crystallography Open Database

Information card for entry 2229293

Preview

Coordinates	2229293.cif
Structure factors	2229293.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ~2~-methanolato-bis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetrakis[dibutyltin(IV)]
Formula	C40 H86 N6 O4 S2 Sn4
Calculated formula	C40 H86 N6 O4 S2 Sn4
SMILES	C(CCC)[Sn]1(CCCC)(N2C(=S)N(C=N2)C)[O](C)[Sn]2([O]1[Sn]1(CCCC)(CCCC)[O](C)[Sn](CCCC)(CCCC)(N3N=CN(C3=S)C)[O]21)(CCCC)CCCC
Title of publication	Di-μ~2~-methanolato-bis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetrakis[dibutyltin(IV)]
Authors of publication	Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	m243
a	12.3387 ± 0.0003 Å
b	12.9885 ± 0.0004 Å
c	16.7968 ± 0.0005 Å
α	81.437 ± 0.003°
β	83.636 ± 0.002°
γ	88.474 ± 0.002°
Cell volume	2645.32 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0559
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181213 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/92.	2229293.cif 2229293.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229293.cif 2229293.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229293.cif 2229293.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2229293.cif 2229293.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229293.cif 2229293.hkl
14261	2011-03-09	Adding the Fobs data for the recenty deposited IUCr structrures.	2229293.cif 2229293.hkl
12386	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 2229293 via cif-deposit CGI script.	2229293.cif