Crystallography Open Database

Information card for entry 4082233

Preview

Coordinates	4082233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 Cl6 Fe N4
Calculated formula	C36 H33 Cl6 Fe N4
Title of publication	A Ruthenium‒Iron Bimetallic Supramolecular Cage withD4Symmetry from a Tetrapyridyl Iron(I) Metalloligand
Authors of publication	Ryu, Ji Yeon; Lee, Ji Min; Park, Yu Jin; Nghia, Nguyen Van; Lee, Min Hyung; Lee, Junseong
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7272
a	11.8102 ± 0.0004 Å
b	13.082 ± 0.0004 Å
c	13.9126 ± 0.0004 Å
α	114.355 ± 0.002°
β	95.332 ± 0.002°
γ	103.045 ± 0.002°
Cell volume	1865.32 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178711 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22.	4082233.cif
92252	2014-01-12	cif/ Adding structures of 4082233, 4082234 via cif-deposit CGI script.	4082233.cif