Crystallography Open Database

Information card for entry 4320342

4320341 << 4320342 >> 4320343

Preview

Coordinates	4320342.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Phthalocyaninato bis(undecylcarboxylato)Tin(IV)
Formula	C56 H62 N8 O4 Sn
Calculated formula	C56 H62 N8 O4 Sn
Title of publication	Novel Seven Coordination Geometry of Sn(IV): Crystal Structures of Phthalocyaninato Bis(undecylcarboxylato)Sn(IV), Its Si(IV) Analogue, and Phthalocyaninato Bis(chloro)silicon(IV). The Electrochemistry of the Si(IV) Analogue and Related Compounds
Authors of publication	Jack Silver; Christopher S. Frampton; George R. Fern; Dominic A. Davies; John R. Miller; Jose L. Sosa-Sanchez
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5434 - 5439
a	13.206 ± 0.005 Å
b	15.539 ± 0.004 Å
c	12.762 ± 0.004 Å
α	98.15 ± 0.03°
β	103.26 ± 0.03°
γ	100.93 ± 0.03°
Cell volume	2455.3 ± 1.5 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320342.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 {}'	4320342.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320342.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320342.cif
17246	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320342 via cif-deposit CGI script.	4320342.cif