Crystallography Open Database

Information card for entry 1515471

Preview

Coordinates	1515471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C468 H298 Cl8 N16 Ni4 S4
Calculated formula	C468 H298 Cl8 N16 Ni4 S4
Title of publication	A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60
Authors of publication	Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	4
Pages of publication	748
a	25.617 ± 0.004 Å
b	71.86 ± 0.012 Å
c	26.909 ± 0.005 Å
α	90°
β	92.466 ± 0.004°
γ	90°
Cell volume	49489 ± 15 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.178
Residual factor for significantly intense reflections	0.1191
Weighted residual factors for significantly intense reflections	0.2915
Weighted residual factors for all reflections included in the refinement	0.3194
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
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.	1515471.cif
111822	2014-04-28	cif/ Adding structures of 1515471, 1515472 via cif-deposit CGI script.	1515471.cif