Crystallography Open Database

Information card for entry 4115930

Preview

Coordinates	4115930.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cd4(N-(phosphonomethyl)-aza-18-crown-6H2O))3(H2O)5(NO3)4][NO3]
Formula	C39 H97 Cd4 N8 O47 P3
Calculated formula	C39 H81 Cd4 N8 O47 P3
Title of publication	"Macrocyclic Leaflets"
Authors of publication	C. V. Krishnamohan Sharma; Abraham Clearfield
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	1558 - 1559
a	17.136 ± 0.002 Å
b	20.818 ± 0.003 Å
c	20.858 ± 0.003 Å
α	90°
β	104.937 ± 0.002°
γ	90°
Cell volume	7189.4 ± 1.7 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.3459
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	0.719
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178930 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/59.	4115930.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115930.cif
70493	2012-12-25	cif/ Adding structures of 4115930 via cif-deposit CGI script.	4115930.cif