Crystallography Open Database

Information card for entry 4320341

4320340 << 4320341 >> 4320342

Preview

Coordinates	4320341.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Phthalocyaninato bis(chloro)silicon(IV)
Formula	C32 H16 Cl2 N8 Si
Calculated formula	C32 H16 Cl2 N8 Si
SMILES	c12=Nc3n4[Si]56([n]2c(c2c1cccc2)N=c1n5c(=Nc2[n]6c(=Nc4c4ccccc34)c3c2cccc3)c2c1cccc2)(Cl)Cl
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	8.997 ± 0.002 Å
b	14.582 ± 0.004 Å
c	10.129 ± 0.004 Å
α	90°
β	97.74 ± 0.03°
γ	90°
Cell volume	1316.8 ± 0.7 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
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.	4320341.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 {}'	4320341.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320341.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320341.cif
17245	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320341 via cif-deposit CGI script.	4320341.cif