Crystallography Open Database

Information card for entry 4339997

Preview

Coordinates	4339997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H21 F15 N4 O3 Sn
Calculated formula	C44 H21 F15 N4 O3 Sn
SMILES	[Sn]123([n]4c5ccc4=C(c4c(F)c(F)c(F)c(F)c4F)c4n1c(cc4)C(c1c(F)c(F)c(F)c(F)c1F)=c1[n]2c(cc1)C(c1c(F)c(F)c(F)c(F)c1F)=c1[n]3c5cc1)CCC(=O)OC.O=C(C)C
Title of publication	Synthesis and Reactivity Studies of a Tin(II) Corrole Complex.
Authors of publication	Yun, Lin; Vazquez-Lima, Hugo; Fang, Huayi; Yao, Zhengmin; Geisberger, Georg; Dietl, Christian; Ghosh, Abhik; Brothers, Penelope J.; Fu, Xuefeng
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	7047 - 7054
a	7.5 ± 0.0018 Å
b	26.912 ± 0.007 Å
c	23.054 ± 0.006 Å
α	90°
β	94.707 ± 0.003°
γ	90°
Cell volume	4638 ± 2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2017
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339997.cif
121171	2014-08-05	cif/ Updating files of 4339997, 4339998, 4339999 Original log message: Adding full bibliography for 4339997--4339999.cif.	4339997.cif
117884	2014-06-19	cif/ Adding structures of 4339997, 4339998, 4339999 via cif-deposit CGI script.	4339997.cif