Crystallography Open Database

Information card for entry 4341341

Preview

Coordinates	4341341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H67 As2 N2 S2
Calculated formula	C67 H67 As2 N2 S2
Title of publication	A new class of azadipnictiridines generated by an unusual rearrangement reaction.
Authors of publication	Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11682 - 11690
a	11.954 ± 0.003 Å
b	21.216 ± 0.006 Å
c	23.527 ± 0.006 Å
α	105.849 ± 0.014°
β	90.998 ± 0.013°
γ	94.283 ± 0.013°
Cell volume	5720 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179516 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/13.	4341341.cif
126971	2014-11-12	cif/ Updating files of 4341335, 4341336, 4341337, 4341338, 4341339, 4341340, 4341341, 4341342, 4341343, 4341344 Original log message: Adding full bibliography for 4341335--4341344.cif.	4341341.cif
125600	2014-10-21	cif/ Adding structures of 4341335, 4341336, 4341337, 4341338, 4341339, 4341340, 4341341, 4341342, 4341343, 4341344 via cif-deposit CGI script.	4341341.cif