Crystallography Open Database

Information card for entry 7017079

Preview

Coordinates	7017079.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MoMn(bpa) Hofmann
Chemical name	{[Mn(H~2~O)~2~]~0.5~[Mn(bpa)~2~]~0.5~ [Mo(O)(CN)~4~(bpa)~0.5~]}.MeOH
Formula	C23 H18 Mn Mo N7 O3
Calculated formula	C22.5 H18 Mn Mo N7 O3
Title of publication	A new modification of an old framework: Hofmann layers with unusual tetracyanidometallate groups.
Authors of publication	Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Price, David J.; Kepert, Cameron J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	43
Pages of publication	11621 - 11628
a	12.2987 ± 0.0007 Å
b	7.6559 ± 0.0003 Å
c	14.6269 ± 0.0006 Å
α	90°
β	106.545 ± 0.005°
γ	90°
Cell volume	1320.21 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	10
Hermann-Mauguin space group symbol	P 1 2/m 1
Hall space group symbol	-P 2y
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1921
Weighted residual factors for all reflections included in the refinement	0.2038
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179874 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/70.	7017079.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017079.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017079.cif
30044	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7017077, 7017078, 7017079 via cif-deposit CGI script.	7017079.cif