Crystallography Open Database

Information card for entry 2229634

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Structure parameters

Common name	Mo2(C13H9N2Br2)4
Chemical name	Tetrakis[<i>μ</i>-<i>N</i>,<i>N</i>'-bis(4-bromophenyl) formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) tetrahydrofuran solvate
Formula	C56 H44 Br8 Mo2 N8 O
Calculated formula	C52 H36 Br8 Mo2 N8
SMILES	N1(c2ccc(Br)cc2)[Mo]234[N](=CN(c5ccc(Br)cc5)[Mo]4(N(C=[N]2c2ccc(Br)cc2)c2ccc(Br)cc2)(N(C=[N]3c2ccc(Br)cc2)c2ccc(Br)cc2)[N](=C1)c1ccc(Br)cc1)c1ccc(Br)cc1
Title of publication	Tetrakis[<i>{μ</i>}-<i>N</i>,<i>N</i>'-bis(4-bromophenyl)formamidinato-κ^2^<i>N</i>:<i>N</i>']dimolybdenum(II) tetrahydrofuran solvate
Authors of publication	Han, L.-J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	4
Pages of publication	m514
a	21.795 ± 0.004 Å
b	10.077 ± 0.002 Å
c	29.967 ± 0.006 Å
α	90°
β	110.67 ± 0.03°
γ	90°
Cell volume	6158 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181217 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/96.	2229634.cif 2229634.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229634.cif 2229634.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229634.cif 2229634.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2229634.cif 2229634.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229634.cif 2229634.hkl
19531	2011-05-17	hkl/2/ Adding Fobs data for the latest IUCr deposition.	2229634.cif 2229634.hkl
19094	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 2229634 via cif-deposit CGI script.	2229634.cif