Crystallography Open Database

Information card for entry 2228983

Preview

Structure parameters

Chemical name	bis(μ~2~-pyridine-2,6-dicarboxylato)- κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^; κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]
Formula	C30 H46 N2 O10 Sn2
Calculated formula	C30 H46 N2 O10 Sn2
SMILES	[Sn]123(CCCC)(CCCC)([OH2])[n]4c(C(=O)O1)cccc4C(=O)[O]2[Sn]12(CCCC)(CCCC)([OH2])[n]4c(C(=O)O1)cccc4C(=O)[O]23
Title of publication	Monoclinic modification of bis(μ~2~-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6^;κ^4^<i>O</i>^2^:<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-bis[aquadibutyltin(IV)]
Authors of publication	Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	m277
a	16.8882 ± 0.0008 Å
b	11.0957 ± 0.0004 Å
c	18.094 ± 0.0008 Å
α	90°
β	90.251 ± 0.004°
γ	90°
Cell volume	3390.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
181210 (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 2/22/89.	2228983.cif 2228983.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.	2228983.cif 2228983.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228983.cif 2228983.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.	2228983.cif 2228983.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228983.cif 2228983.hkl
14261	2011-03-09	Adding the Fobs data for the recenty deposited IUCr structrures.	2228983.cif 2228983.hkl
12001	2011-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2228983 via cif-deposit CGI script.	2228983.cif