Crystallography Open Database

Information card for entry 2227028

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Structure parameters

Chemical name	Di-μ-nicotinato-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>- bis[aquabis(4-bromobenzyl)(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)]
Formula	C52 H44 Br4 N4 O10 Sn2
Calculated formula	C52 H44 Br4 N4 O10 Sn2
SMILES	[Sn]12([O]=C(O1)c1cccnc1)(OC(=O)c1ccc[n]([Sn]3(OC(=[O]3)c3cccnc3)(OC(=O)c3ccc[n]2c3)([OH2])(Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)c1)([OH2])(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
Title of publication	Di-μ-nicotinato-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>-bis[aquabis(4-bromobenzyl)(nicotinato-κ^2^<i>O</i>,<i>O</i>')tin(IV)]
Authors of publication	Keng, Chun Thy; Lo, Kong Mun; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m1008
a	28.3754 ± 0.0013 Å
b	16.7568 ± 0.0007 Å
c	21.5642 ± 0.001 Å
α	90°
β	90.998 ± 0.001°
γ	90°
Cell volume	10251.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
181191 (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 2/22/70.	2227028.cif 2227028.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.	2227028.cif 2227028.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227028.cif 2227028.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.	2227028.cif 2227028.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227028.cif 2227028.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2227028.cif 2227028.hkl
1553	2010-10-08	cif/2/ Adding data from Acta-Cryst-E-2010_08/.	2227028.cif