Crystallography Open Database

Information card for entry 7014389

Preview

Coordinates	7014389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 Mo N3 O3 P S Si2
Calculated formula	C22 H54 Mo N3 O3 P S Si2
SMILES	[Mo]1([S]=P(OC(C)(C)C)(N1C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(OC(C)(C)C)(OC(C)(C)C)#N
Title of publication	Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.
Authors of publication	Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	3
Pages of publication	711 - 717
a	15.557 ± 0.005 Å
b	11.92 ± 0.003 Å
c	18.59 ± 0.006 Å
α	90°
β	109.73 ± 0.03°
γ	90°
Cell volume	3244.9 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179847 (current)	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 7/01/43.	7014389.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014389.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014389.cif
14742	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014387, 7014388, 7014389, 7014390, 7014391 via cif-deposit CGI script.	7014389.cif