Crystallography Open Database

Information card for entry 7113507

Preview

Coordinates	7113507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H29.5 Br5 Cl4.5 N4 Sb
Calculated formula	C45.5 H29.5 Br5 Cl4.5 N4 Sb
SMILES	[Sb]123(Br)(Br)n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.Br[Br-]Br.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Modulation of axial coordination in N-confused porphyrin‒antimony(V) dibromide complex by proton stimulus
Authors of publication	Liu, Jia-Cheng; Ishizuka, Tomoya; Osuka, Atsuhiro; Furuta, Hiroyuki
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1908 - 1909
a	22.5586 ± 0.0003 Å
b	17.5209 ± 0.0003 Å
c	22.9152 ± 0.0004 Å
α	90°
β	90.0793 ± 0.0006°
γ	90°
Cell volume	9057.2 ± 0.3 Å³
Cell temperature	123.2 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 significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	7103796
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210576 (current)	2018-09-08	cif/7/ Updating bibliography in entries 7103794-7103796, 7113505-7113507. Marking entries 7113505-7113507 as duplicates of entries 7103794-7103796.	7113507.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113507.cif
115097	2014-06-02	cif/ Adding structures of 7113505, 7113506, 7113507 via cif-deposit CGI script.	7113507.cif