Crystallography Open Database

Information card for entry 2230853

Preview

Coordinates	2230853.cif
Structure factors	2230853.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)- 1κ^2^<i>O</i>,<i>O</i>';4κ^2^<i>O</i>,<i>O</i>'-di-μ~2~-chlorido- 1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-octamethyl- 1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido- 1:2:3κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetratin(IV)
Formula	C24 H42 Cl2 O6 Sn4
Calculated formula	C24 H42 Cl2 O6 Sn4
SMILES	C(=O)([C@H]1[C@H]2C=C[C@@H](C1)C2)O[Sn]1(C)([O]2[Sn](C)(C)([O]([Sn]3(C)(OC(=O)[C@@H]4[C@@H]5C=C[C@H](C4)C5)C)[Sn]2(C)(C)[Cl]3)[Cl]1)C
Title of publication	Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)-1κ^2^<i>O</i>,<i>O</i>';4κ^2^<i>O</i>,<i>O</i>'-di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-octamethyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido-1:2:3κ^3^<i>O</i>;2:3:4κ^3^<i>O</i>-tetratin(IV)
Authors of publication	Ren, Yupo
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	m984
a	9.3685 ± 0.0012 Å
b	9.8651 ± 0.0013 Å
c	9.9103 ± 0.0015 Å
α	109.779 ± 0.002°
β	96.34 ± 0.001°
γ	97.204 ± 0.001°
Cell volume	843.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0831
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1296
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	Yes

Version history

Revision	Date	Message	Files
181230 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/08.	2230853.cif 2230853.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230853.cif 2230853.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230853.cif 2230853.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.	2230853.cif 2230853.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230853.cif 2230853.hkl
23417	2011-08-08	hkl/ Adding Fobs data for the recently deposited coordinates from IUCr.	2230853.cif 2230853.hkl
23172	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2230853 via cif-deposit CGI script.	2230853.cif