Crystallography Open Database

Information card for entry 4325713

Preview

Coordinates	4325713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Br2 N2
Calculated formula	C36 H36 Br2 N2
Title of publication	Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand β-Halogenation and meso-Fluoroarylation
Authors of publication	Austin B. Scharf; Theodore A. Betley
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6837 - 6845
a	8.845 ± 0.003 Å
b	14.897 ± 0.005 Å
c	23.629 ± 0.008 Å
α	90°
β	100.233 ± 0.005°
γ	90°
Cell volume	3063.9 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.2139
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179360 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57.	4325713.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325713.cif
44786	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325713 via cif-deposit CGI script.	4325713.cif