Crystallography Open Database

Information card for entry 4320335

4320334 << 4320335 >> 4320336

Preview

Coordinates	4320335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H31 Br Cl2 Fe N4
Calculated formula	C45 H31 Br Cl2 Fe N4
Title of publication	Synthesis and Characterization of Iron N-Confused Porphyrins: Structural Evidences of Agostic Interaction
Authors of publication	Wan-Chin Chen; Chen-Hsiung Hung
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5070 - 5071
a	21.466 ± 0.007 Å
b	20.877 ± 0.007 Å
c	19.294 ± 0.006 Å
α	90°
β	114.897 ± 0.004°
γ	90°
Cell volume	7843 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1452
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.1888
Weighted residual factors for all reflections included in the refinement	0.2271
Goodness-of-fit parameter for all reflections included in the refinement	0.843
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
179306 (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 4/32/03.	4320335.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320335.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320335.cif
17239	2011-04-05	../uploads/cif-deposit/cod/cif Adding structures of 4320335 via cif-deposit CGI script.	4320335.cif