Crystallography Open Database

Information card for entry 7020912

7020911 << 7020912 >> 7020913

Preview

Coordinates	7020912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 Cl7 Mo N2 O4
Calculated formula	C17 H12 Cl7 Mo N2 O4
SMILES	[Mo](Cl)(Cl)(Cl)(=O)([O]=C1C(=O)c2ccccc2N1)[O]=C1C(Cl)(Cl)c2ccccc2N1.ClCCl
Title of publication	The interaction of molybdenum pentachloride with carbonyl compounds.
Authors of publication	Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	7
Pages of publication	2477 - 2487
a	14.3982 ± 0.0015 Å
b	9.6192 ± 0.001 Å
c	17.9639 ± 0.0019 Å
α	90°
β	110.317 ± 0.001°
γ	90°
Cell volume	2333.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179914 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/09.	7020912.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020912.cif
73712	2013-02-21	cif/ Adding structures of 7020909, 7020910, 7020911, 7020912, 7020913 via cif-deposit CGI script.	7020912.cif