Crystallography Open Database

Information card for entry 1518861

Preview

Coordinates	1518861.cif

Structure parameters

Formula	C72 H80 B8 F32 Mo8 N24 O16 S4
Calculated formula	C72 H80 B8 F32 Mo8 N24 O16 S4
Title of publication	Synthesis and characterization of dimeric and square-shaped dicarboxylate-bridged dimolybdenum(II) coordination compounds
Authors of publication	Dominik Hohne; Eberhardt Herdtweck; Alexander Pothig; Fritz E. Kuhn
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	210 - 215
a	12.4639 ± 0.0007 Å
b	17.9126 ± 0.0011 Å
c	20.0691 ± 0.0012 Å
α	70.855 ± 0.003°
β	87.566 ± 0.003°
γ	80.438 ± 0.003°
Cell volume	4173.7 ± 0.4 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518861.cif
133942	2015-03-15	cif/ Adding structures of 1518861 via cif-deposit CGI script.	1518861.cif