Crystallography Open Database

Information card for entry 4339904

Preview

Coordinates	4339904.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mo2(DAniF)2]2H4
Formula	C60 H64 Mo4 N8 O8
Calculated formula	C60 H64 Mo4 N8 O8
SMILES	N1(C=[N](c2ccc(OC)cc2)[Mo]23456[Mo]7819([H][Mo]1%1028([H]6)[N](=CN(c2ccc(OC)cc2)[Mo]57%10([H]3)([H]9)N(C=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)N(c1ccc(OC)cc1)C=[N]4c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	A rare dimer of dimers having four hydride linkers joining two quadruply bonded dimolybdenum units.
Authors of publication	Cotton, F. Albert; Murillo, Carlos A.; Zhao, Qinliang
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6858 - 6863
a	27.206 ± 0.005 Å
b	16.046 ± 0.003 Å
c	17.643 ± 0.003 Å
α	90°
β	129.913 ± 0.002°
γ	90°
Cell volume	5907.6 ± 1.9 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
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	0.0293
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179502 (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 4/33/99.	4339904.cif
117609	2014-06-15	cif/ Adding structures of 4339904 via cif-deposit CGI script.	4339904.cif