Crystallography Open Database

Information card for entry 1507222

Preview

Coordinates	1507222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.553 H26 Cd3 Cl1.447 N8.553 O3
Calculated formula	C26.553 H26 Cd3 Cl1.447 N8.553 O3
Title of publication	Crystal Structure and Spectroscopic Properties of the CT Complex of Methyl Viologen Dication ando-Dimethoxybenzene Included in a Polycyano−Polycadmate Host and Electrostatic Effects on Its CT Absorption
Authors of publication	Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Ishida, Toshimasa
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2003
Journal volume	107
Journal issue	35
Pages of publication	9261
a	15.475 ± 0.0002 Å
b	8.8408 ± 0.0001 Å
c	25.0585 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3428.29 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507222.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507222.cif
53754	2012-04-20	cif/ Adding structures of 1507222 via cif-deposit CGI script.	1507222.cif