Crystallography Open Database

Information card for entry 4084095

Preview

Coordinates	4084095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Cl3 Fe Ru
Calculated formula	C29 H35 Cl3 Fe Ru
Title of publication	Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units
Authors of publication	Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	18
Pages of publication	5020
a	11.4639 ± 0.0003 Å
b	15.1728 ± 0.0003 Å
c	15.9971 ± 0.0004 Å
α	90°
β	94.946 ± 0.001°
γ	90°
Cell volume	2772.17 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0295
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178729 (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 4/08/40.	4084095.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4084095.cif
120852	2014-07-29	cif/ Adding structures of 4084095, 4084096, 4084097, 4084098, 4084099 via cif-deposit CGI script.	4084095.cif