Crystallography Open Database

Information card for entry 7037769

Preview

Coordinates	7037769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Br6 Fe2 In2 N6 O4
Calculated formula	C16 H18 Br6 Fe2 In2 N6 O4
SMILES	[Fe](C#[O])(C#[O])(C#[O])(C#[O])([In](Br)(Br)Br)[In](Br)(Br)Br.[Fe]([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC
Title of publication	Synthesis and characterization of [Fe(NCCH3)6][cis-Fe(InX3)2(CO)4] (X = Cl, Br, I) containing two terminal indium fragments.
Authors of publication	Itazaki, Masumi; Ito, Masaki; Nakashima, Satoru; Nakazawa, Hiroshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1327 - 1330
a	24.0932 ± 0.0007 Å
b	11.7087 ± 0.0003 Å
c	25.1339 ± 0.0007 Å
α	90°
β	93.6994 ± 0.0016°
γ	90°
Cell volume	7075.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176022 (current)	2016-02-05	cif/ Updating files of 7037768, 7037769, 7037770 Original log message: Adding full bibliography for 7037768--7037770.cif.	7037769.cif
171741	2015-12-25	cif/ Adding structures of 7037768, 7037769, 7037770 via cif-deposit CGI script.	7037769.cif