Crystallography Open Database

Information card for entry 7032827

Preview

Coordinates	7032827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 F6 Mn N7 O8 S2
Calculated formula	C34.999 H55 F5.997 Mn N7 O7.997 S1.999
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	13.4756 ± 0.0013 Å
b	19.984 ± 0.002 Å
c	32.753 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	8820.3 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7032827.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.	7032827.cif
125529	2014-10-18	cif/ Adding structures of 7032823, 7032824, 7032825, 7032826, 7032827, 7032828 via cif-deposit CGI script.	7032827.cif