Crystallography Open Database

Information card for entry 7203825

7203824 << 7203825 >> 7203826

Preview

Coordinates	7203825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H138 N2 O28 S2 Sn12
Calculated formula	C62 H132 N2 O28 S2 Sn12
SMILES	C(C(C)(C)NC(=O)C=C)S(=O)(=O)[O-].[O]12[Sn]34(CCCC)[O]5[Sn]671(CCCC)[O]1[Sn]89([O]%10[Sn]%112(CCCC)[O]3[Sn]23%12([O]%13[Sn]%14%15([O]%16[Sn]%17([O]%14[Sn]%10([O]9%17)(CCCC)[O]%11%12)([O]9[Sn]%10%16([O]%11[Sn]5([O]4[Sn]%13%11(O%15)(O2)CCCC)(CCCC)[O]%10[Sn]19(O8)(O7)CCCC)CCCC)CCCC)(O3)CCCC)CCCC)(O6)CCCC.C(C(C)(C)NC(=O)C=C)S(=O)(=O)[O-]
Title of publication	Poly[{(BuSn)12O14(OH)6}(AMPS)2] and poly[methyl acrylate-co-{(BuSn)12O14(OH)6}(AMPS)2]: hybrid polymers cross-linked through electrostatic interactions
Authors of publication	Ribot, François; Veautier, Delphine; Guillaudeu, Steven J.; Lalot, Thierry
Journal of publication	Journal of Materials Chemistry
Year of publication	2005
Journal volume	15
Journal issue	35-36
Pages of publication	3973
a	35.505 ± 0.008 Å
b	35.505 ± 0.008 Å
c	15.724 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	19822 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
180369 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/38.	7203825.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7203825.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203825.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203825.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203825.cif