Crystallography Open Database

Information card for entry 7032824

Preview

Coordinates	7032824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H43 Cl2 Fe N5
Calculated formula	C31 H43 Cl2 Fe N5
Title of publication	Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.
Authors of publication	Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	45
Pages of publication	16992 - 16995
a	14.5749 ± 0.0007 Å
b	16.7758 ± 0.0009 Å
c	12.7588 ± 0.0008 Å
α	90°
β	93.857 ± 0.002°
γ	90°
Cell volume	3112.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0569
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032824.cif
126415	2014-11-06	cif/ Updating files of 7032823, 7032824, 7032825, 7032826, 7032827, 7032828 Original log message: Adding full bibliography for 7032823--7032828.cif.	7032824.cif
125529	2014-10-18	cif/ Adding structures of 7032823, 7032824, 7032825, 7032826, 7032827, 7032828 via cif-deposit CGI script.	7032824.cif