Crystallography Open Database

Information card for entry 4339666

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Coordinates	4339666.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetra(bis(2,2'-bipyridyl)Manganese(II))di(octacyano Niobium(IV)) cluster
Formula	C96 H87.25 Mn4 N32 Nb2 O11.62
Calculated formula	C96 H64 Mn4 N32 Nb2 O11.625
Title of publication	Synthesis, crystal structure, and magnetic properties of hexanuclear [{MnL2}4{Nb(CN)8}2] and Nonanuclear [{MnL2}6{Nb(CN)8}3] heterometallic clusters (L=bpy, phen).
Authors of publication	Venkatakrishnan, Thengarai S.; Rajamani, Raghunathan; Ramasesha, S.; Sutter, Jean-Pascal
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9569 - 9574
a	23.923 ± 0.005 Å
b	19.69 ± 0.005 Å
c	47.387 ± 0.005 Å
α	90°
β	97.776 ± 0.005°
γ	90°
Cell volume	22116 ± 8 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.2909
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for all reflections	0.1324
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.1138
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
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339666.cif
117463	2014-06-15	cif/ Adding structures of 4339666, 4339667 via cif-deposit CGI script.	4339666.cif