Crystallography Open Database

Information card for entry 7011154

Preview

Coordinates	7011154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H53 B F4 Mo N4 O P4
Calculated formula	C56 H53 B F4 Mo N4 O P4
Title of publication	Activation of cyanamide by a molybdenum(0) diphosphinic centre. Formation of cyanoimide and its reactivity with electrophiles
Authors of publication	Cunha, Sónia M. P. R. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	8
Pages of publication	1791
a	11.778 ± 0.002 Å
b	21.29 ± 0.004 Å
c	22.115 ± 0.004 Å
α	90°
β	90.85 ± 0.03°
γ	90°
Cell volume	5544.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0468
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011154.cif
179815	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 7/01/11.	7011154.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011154.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011154.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011154.cif