Crystallography Open Database

Information card for entry 7012060

7012059 << 7012060 >> 7012061

Preview

Coordinates	7012060.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mo(OBMes2)2(NC6H3iPr2)2]
Formula	C60 H78 B2 Mo N2 O2
Calculated formula	C60 H78 B2 Mo N2 O2
Title of publication	Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron
Authors of publication	Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	22
Pages of publication	4168
a	13.2134 ± 0.0004 Å
b	19.0999 ± 0.0005 Å
c	44.5065 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	11232.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.1613
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012060.cif
179824	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/20.	7012060.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012060.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012060.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012060.cif