Crystallography Open Database

Information card for entry 7006219

Preview

Coordinates	7006219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Mo N5 O3
Calculated formula	C29 H31 Mo N5 O3
SMILES	c1(cc(C)n2C(Cc3ccccc3)n3c(cc(C)[n]3[Mo](C#[O])(C#[O])(C#[O])([n]12)[N]#CC)C)C.c1ccccc1
Title of publication	Dendronized scorpionate complexes of molybdenum in low and high oxidation states.
Authors of publication	Sánchez-Méndez, Alberto; Ortiz, Alba M.; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	48
Pages of publication	5658 - 5669
a	12.28 ± 0.005 Å
b	12.284 ± 0.005 Å
c	19.122 ± 0.005 Å
α	83.47 ± 0.005°
β	89.97 ± 0.005°
γ	89.76 ± 0.005°
Cell volume	2865.8 ± 1.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1869
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179766 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/62.	7006219.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006219.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006219.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006219.cif