Crystallography Open Database

Information card for entry 4115919

Preview

Coordinates	4115919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H108 Cl8 N6 O33 V12
Calculated formula	C44 H108 Cl8 N6 O33 V12
Title of publication	NO-Anion Trapped in a Molecular Oxide Bowl
Authors of publication	N. Kawanami; T. Ozeki; A. Yagasaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	1239 - 1240
a	19.3979 ± 0.0004 Å
b	19.3979 ± 0.0004 Å
c	11.3278 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4262.41 ± 0.17 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	6
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
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.	4115919.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115919.cif
70482	2012-12-25	cif/ Adding structures of 4115919 via cif-deposit CGI script.	4115919.cif