Crystallography Open Database

Information card for entry 1512833

Preview

Coordinates	1512833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Fe Ni
Calculated formula	C38 H50 Fe Ni
Title of publication	Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer
Authors of publication	Cesar Morales-Verdejo; Ivan Martinez; Desmond Mac-Leod Carey; Ivonne Chavez; Juan Manuel Manriquez; Dimitri Matioszek; Nathalie Saffon; Annie Castel; Pierre Riviere; Elies Molins
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	752 - 756
a	9.948 ± 0.003 Å
b	14.792 ± 0.005 Å
c	11.344 ± 0.007 Å
α	90°
β	106.13 ± 0.04°
γ	90°
Cell volume	1603.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0549
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
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.	1512833.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512833.cif
90980	2013-11-22	cif/ Adding structures of 1512833 via cif-deposit CGI script.	1512833.cif