Crystallography Open Database

Information card for entry 4335422

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Coordinates	4335422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H63 As N5 O0.5 Si3 Zr
Calculated formula	C34 H63 As N5 O0.5 Si3 Zr
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	11.3755 ± 0.0006 Å
b	12.1971 ± 0.0006 Å
c	16.5256 ± 0.0008 Å
α	84.972 ± 0.001°
β	72.278 ± 0.001°
γ	70.593 ± 0.001°
Cell volume	2059.76 ± 0.18 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335422.cif
101350	2014-02-11	cif/ Adding structures of 4335422 via cif-deposit CGI script.	4335422.cif