Crystallography Open Database

Information card for entry 4321158

Preview

Coordinates	4321158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 Li N4 O S
Calculated formula	C52 H43 Li N4 O S
Title of publication	Synthesis, Characterization, and Properties of a Lithium 21-Thiaporphyrin Complex
Authors of publication	Andreas Gebauer; Joseph A. R. Schmidt; John Arnold
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3424 - 3427
a	11.39 ± 0.002 Å
b	11.905 ± 0.002 Å
c	17.09 ± 0.002 Å
α	108.041 ± 0.002°
β	97.446 ± 0.002°
γ	103.226 ± 0.003°
Cell volume	2094.1 ± 0.6 Å³
Cell temperature	165.2 K
Ambient diffraction temperature	165.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.191
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.0421
Goodness-of-fit parameter for significantly intense reflections	1.036
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321158.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321158.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321158.cif
18507	2011-05-01	../uploads/cif-deposit/cod/cif Adding structures of 4321158 via cif-deposit CGI script.	4321158.cif