Crystallography Open Database

Information card for entry 1515303

Preview

Coordinates	1515303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H89.45 N12 O28.47 S4 Sn Zn
Calculated formula	C88.004 H63.8447 N12.0007 O28.48 S4 Sn Zn
Title of publication	Binary ionic porphyrin nanosheets: electronic and light-harvesting properties regulated by crystal structure.
Authors of publication	Tian, Yongming; Beavers, Christine M.; Busani, Tito; Martin, Kathleen E.; Jacobsen, John L.; Mercado, Brandon Q.; Swartzentruber, Brian S.; van Swol, Frank; Medforth, Craig J.; Shelnutt, John A.
Journal of publication	Nanoscale
Year of publication	2012
Journal volume	4
Journal issue	5
Pages of publication	1695 - 1700
a	17.1975 ± 0.0009 Å
b	22.7109 ± 0.0011 Å
c	23.24 ± 0.0012 Å
α	94.052 ± 0.003°
β	104.128 ± 0.003°
γ	106.292 ± 0.003°
Cell volume	8353.9 ± 0.8 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.255
Weighted residual factors for all reflections included in the refinement	0.2806
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515303.cif
111105	2014-04-20	cif/ Adding structures of 1515303 via cif-deposit CGI script.	1515303.cif