Crystallography Open Database

Information card for entry 4064462

Preview

Coordinates	4064462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H144 Cl3 Cu3 Fe24 N8 O24
Calculated formula	C162 H144 Cl3 Cu3 Fe24 N8 O24
Title of publication	Synthesis and Characterization of the Triple Cluster (Cp3Fe4(CO)4(C5H4CH═NCH2CH2))3N and Its Function as a Tripodal Tetradentate Ligand
Authors of publication	Dai, Huei-Fang; Chen, Chia-Hsiang; Chen, Chi-Shian; Yeh, Wen-Yann
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	10
Pages of publication	2889
a	21.6248 ± 0.0011 Å
b	23.0879 ± 0.0012 Å
c	16.7075 ± 0.0009 Å
α	90°
β	100.934 ± 0.003°
γ	90°
Cell volume	8190.1 ± 0.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1478
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178538 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/44.	4064462.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064462.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064462.cif
32912	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064462 via cif-deposit CGI script.	4064462.cif