Crystallography Open Database

Information card for entry 2228071

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Structure parameters

Chemical name	Octamethylbis(μ~2~-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis(2- methylbenzoato-κ<i>O</i>)di-μ~3~-oxido-tetratin(IV)
Formula	C40 H52 O10 Sn4
Calculated formula	C40 H52 O10 Sn4
SMILES	C1(=[O][Sn]2([O]([Sn](C)(O1)(OC(=O)c1ccccc1C)C)[Sn]1(OC(=[O][Sn](C)([O]21)(OC(=O)c1ccccc1C)C)c1ccccc1C)(C)C)(C)C)c1ccccc1C
Title of publication	Octamethylbis(μ~2~-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis(2-methylbenzoato-κ<i>O</i>)di-μ~3~-oxido-tetratin(IV)
Authors of publication	Danish, Muhammad; Ghafoor, Sabiha; Tahir, M. Nawaz; Ahmad, Nazir; Hamid, Masood
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	m1268 - m1269
a	10.0413 ± 0.0002 Å
b	10.128 ± 0.0002 Å
c	12.091 ± 0.0003 Å
α	83.3 ± 0.001°
β	72.85 ± 0.002°
γ	71.876 ± 0.001°
Cell volume	1116.24 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
181201 (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 2/22/80.	2228071.cif 2228071.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.	2228071.cif 2228071.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228071.cif 2228071.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.	2228071.cif 2228071.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228071.cif 2228071.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2228071.cif 2228071.hkl
5108	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2228071 via cif-deposit CGI script.	2228071.cif