Crystallography Open Database

Information card for entry 1540652

Preview

Coordinates	1540652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 Br6 Fe3 N9
Calculated formula	C27 H63 Br6 Fe3 N9
SMILES	[Br]1[Fe]234([Br][Fe]561([Br]2)[N]1(C)CC[N]5(CC[N]6(CC1)C)C)[N]1(CC[N]3(C)CC[N]4(CC1)C)C.Br[Fe]12(Br)(Br)[N]3(C)CC[N]1(C)CC[N]2(CC3)C
Title of publication	Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts
Authors of publication	Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo
Journal of publication	Polym. Chem.
Year of publication	2016
Journal volume	7
Journal issue	5
Pages of publication	1037
a	22.0243 ± 0.0016 Å
b	16.0659 ± 0.0011 Å
c	23.6931 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	8383.6 ± 1 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.3
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176208 (current)	2016-02-05	cif/ Updating files of 1540650, 1540651, 1540652 Original log message: Adding full bibliography for 1540650--1540652.cif.	1540652.cif
170913	2015-12-09	cif/ Adding structures of 1540650, 1540651, 1540652 via cif-deposit CGI script.	1540652.cif