Crystallography Open Database

Information card for entry 4320937

4320936 << 4320937 >> 4320938

Preview

Coordinates	4320937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H41 Cl4 N4 O4 Tl
Calculated formula	C51 H39 Cl4 N4 O4 Tl
Title of publication	Crystal and Molecular Structure of an Eight-Coodinate N-Methyltetraphenylporphyrin Complex: Diacetato(N-methyl-meso-tetraphenylporphyrinato)thallium(III)
Authors of publication	Jo-Yu Tung; Jyh-Horung Chen; Feng-Ling Liao; Sue-Lein Wang; Lian-Pin Hwang
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2120 - 2124
a	10.6234 ± 0.0002 Å
b	35.5553 ± 0.0007 Å
c	13.5231 ± 0.0002 Å
α	90°
β	106.732 ± 0.001°
γ	90°
Cell volume	4891.66 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.083
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
179312 (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 4/32/09.	4320937.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 {}'	4320937.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320937.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320937.cif
18259	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320937 via cif-deposit CGI script.	4320937.cif