Crystallography Open Database

Information card for entry 4335037

Preview

Coordinates	4335037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H54 N11 O4 P
Calculated formula	C39 H54 N11 O4 P
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	22.635 ± 0.005 Å
b	15.677 ± 0.003 Å
c	11.689 ± 0.003 Å
α	90°
β	104.148 ± 0.01°
γ	90°
Cell volume	4022 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1555
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.2184
Weighted residual factors for all reflections included in the refinement	0.2458
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	4335037.cif
100941	2014-02-10	cif/ Adding structures of 4335037 via cif-deposit CGI script.	4335037.cif