Crystallography Open Database

Information card for entry 2238905

Preview

Coordinates	2238905.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)
Formula	C23 H30 N2 O4 Sn
Calculated formula	C23 H30 N2 O4 Sn
SMILES	[Sn]12(CCCC)(CCCC)[N](=Cc3c(c(ccc3)OC)O2)N=C(c2ccc(cc2)O)O1
Title of publication	Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)
Authors of publication	Qiao, Yanling; Wang, Fei
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m675
a	10.8504 ± 0.0003 Å
b	22.2977 ± 0.0008 Å
c	20.3988 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4935.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	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.	2238905.cif
92292	2014-01-12	cif/ Adding structures of 2238905 via cif-deposit CGI script.	2238905.cif