Crystallography Open Database

Information card for entry 7019853

7019852 << 7019853 >> 7019854

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Coordinates	7019853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H44 O4 Sn2
Calculated formula	C39 H44 O4 Sn2
SMILES	[Sn]1(Oc2c(cccc2C)C)[O]([Sn](Oc2c(cccc2C)C)[O]1c1c(cccc1C)C)c1c(cccc1C)C.c1(ccccc1)C
Title of publication	Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.
Authors of publication	Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9349 - 9364
a	14.8587 ± 0.0011 Å
b	10.8624 ± 0.0008 Å
c	22.554 ± 0.0016 Å
α	90°
β	95.394 ± 0.001°
γ	90°
Cell volume	3624.1 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7019853.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7019853.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019853.cif
64331	2012-08-12	cif/ Adding structures of 7019844, 7019845, 7019846, 7019847, 7019848, 7019849, 7019850, 7019851, 7019852, 7019853, 7019854, 7019855, 7019856, 7019857, 7019858 via cif-deposit CGI script.	7019853.cif