Crystallography Open Database

Information card for entry 4078323

Preview

Coordinates	4078323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H94 Cl4 Fe2 N14 O26 Zn2
Calculated formula	C84 H94 Cl4 Fe2 N14 O26 Zn2
Title of publication	A Bioinspired ZnII/FeIIIHeterobimetallic Catalyst for Thia-Michael Addition
Authors of publication	Lee, Way-Zen; Wang, Tzu-Li; Chang, Hao-Ching; Chen, Yi-Ting; Kuo, Ting-Shen
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4106 - 4109
a	19.088 ± 0.0004 Å
b	20.962 ± 0.0004 Å
c	23.402 ± 0.0006 Å
α	90°
β	90 ± 0.001°
γ	90°
Cell volume	9363.7 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P c n b
Hall space group symbol	-P 2b 2ac
Residual factor for all reflections	0.1724
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2175
Weighted residual factors for all reflections included in the refinement	0.2787
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
178672 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/83.	4078323.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078323.cif
60064	2012-06-14	cif/ Updating files of 4078323 Original log message: Adding the value of _journal_page_last.	4078323.cif
60058	2012-06-14	cif/ Adding structures of 4078323 via cif-deposit CGI script.	4078323.cif