Crystallography Open Database

Information card for entry 7204699

7204698 << 7204699 >> 7204700

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Coordinates	7204699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 Fe Hg I4 N6 O2
Calculated formula	C39 H30 Fe Hg I4 N6 O2
Title of publication	Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?
Authors of publication	Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	49
Pages of publication	285
a	11.384 ± 0.005 Å
b	12.659 ± 0.006 Å
c	14.885 ± 0.007 Å
α	89.37 ± 0.02°
β	73.79 ± 0.03°
γ	84.19 ± 0.04°
Cell volume	2048.9 ± 1.7 Å³
Cell temperature	294 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.86
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7204699.cif
180377	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46.	7204699.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204699.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204699.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204699.cif