Crystallography Open Database

Information card for entry 7028816

Preview

Coordinates	7028816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H49 Mo N2 P5 Si
Calculated formula	C35 H49 Mo N2 P5 Si
SMILES	[Mo]123([N]#N)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[Si](C)(C[P]2(C)C)C[P]3(C)C)(C)C
Title of publication	Molybdenum dinitrogen complexes supported by a silicon-centred tripod ligand and dppm or dmpm: tuning the activation of N2.
Authors of publication	Broda, Henning; Hinrichsen, Svea; Krahmer, Jan; Näther, Christian; Tuczek, Felix
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2007 - 2012
a	12.6764 ± 0.0008 Å
b	18.1037 ± 0.001 Å
c	16.607 ± 0.0009 Å
α	90°
β	92.519 ± 0.007°
γ	90°
Cell volume	3807.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0468
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179994 (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 7/02/88.	7028816.cif
105435	2014-03-12	cif/ Adding structures of 7028816 via cif-deposit CGI script.	7028816.cif