Crystallography Open Database

Information card for entry 1518496

Preview

Coordinates	1518496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 As4 Co2
Calculated formula	C34 H58 As4 Co2
SMILES	[As]12[As]3[Co]456781([As]1[As]4[Co]49%10%11231[c]1([cH]4[c]9([c]%10([cH]%111)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]5[c]6([c]7([cH]81)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Synthesis of arsenic-rich Asnligand complexes from yellow arsenic
Authors of publication	Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1379
a	8.4386 ± 0.0001 Å
b	13.7676 ± 0.0001 Å
c	16.0276 ± 0.0001 Å
α	90°
β	100.27 ± 0.001°
γ	90°
Cell volume	1832.24 ± 0.03 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 0.2 K
Number of distinct elements	4
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	0.0348
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518496.cif
133099	2015-03-06	cif/ Updating files of 1518346, 1518347, 1518348, 1518496, 1518497, 1518498, 1518499, 1518500 Original log message: Adding full bibliography for 1518346--1518500.cif.	1518496.cif
129301	2015-01-01	cif/ Adding structures of 1518496, 1518497, 1518498, 1518499, 1518500 via cif-deposit CGI script.	1518496.cif