Crystallography Open Database

Information card for entry 4335423

Preview

Coordinates	4335423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H56 As N5 Si3 Zr
Calculated formula	C35 H56 As N5 Si3 Zr
SMILES	[Zr]1234(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)[N](=C4[As](c1ccccc1)c1ccccc1)Cc1ccccc1
Title of publication	Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides
Authors of publication	Annalese F. Maddox; Jillian J. Davidson; Tamila Shalumova; Joseph M. Tanski; Rory Waterman
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7811 - 7816
a	11.3035 ± 0.0005 Å
b	19.5564 ± 0.0009 Å
c	19.086 ± 0.0009 Å
α	90°
β	106.078 ± 0.001°
γ	90°
Cell volume	4054 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.0408
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335423.cif
101351	2014-02-11	cif/ Adding structures of 4335423 via cif-deposit CGI script.	4335423.cif