Crystallography Open Database

Information card for entry 4322777

Preview

Coordinates	4322777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H46 As N4 O6 Se6
Calculated formula	C20 H46 As N4 O6 Se6
Title of publication	Se22-, Se52-, and Se72- Ligands in [NEt4]2[As2Se6], [enH][AsSe6].2.2.2-cryptand, [NEt4][AsSe8], and [(en)2In(SeAs(Se)Se2)].en
Authors of publication	Donna M. Smith; Michael A. Pell; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	2340 - 2343
a	10.993 ± 0.002 Å
b	19.66 ± 0.01 Å
c	15.145 ± 0.007 Å
α	90°
β	95.66 ± 0.06°
γ	90°
Cell volume	3257 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections	0.1361
Weighted residual factors for significantly intense reflections	0.1353
Goodness-of-fit parameter for all reflections	2.285
Goodness-of-fit parameter for significantly intense reflections	2.319
Diffraction radiation wavelength	1.54056 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179330 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/27.	4322777.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322777.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322777.cif
21664	2011-06-27	../uploads/cif-deposit/cod/cif Adding structures of 4322777 via cif-deposit CGI script.	4322777.cif