Crystallography Open Database

Information card for entry 4335038

Preview

Coordinates	4335038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H88 As N11 O21
Calculated formula	C39 H57 As N11 O7.5
Title of publication	Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures
Authors of publication	Debasish Jana; Ganesan Mani; Carola Schulzke
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6427 - 6439
a	13.0215 ± 0.0012 Å
b	16.1623 ± 0.0015 Å
c	16.6439 ± 0.0015 Å
α	66.874 ± 0.003°
β	67.727 ± 0.003°
γ	67.019 ± 0.003°
Cell volume	2858.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.121
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.1936
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
179453 (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 4/33/50.	4335038.cif
100942	2014-02-10	cif/ Adding structures of 4335038 via cif-deposit CGI script.	4335038.cif