Crystallography Open Database

Information card for entry 4120767

4120766 << 4120767 >> 4120768

Preview

Coordinates	4120767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123.03 H114.05 Cl3 N6 O20 P6 Re3
Calculated formula	C123.021 H114.042 Cl3 N6 O20.007 P6 Re3
Title of publication	Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties
Authors of publication	Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13266 - 13269
a	13.7098 ± 0.0003 Å
b	18.9544 ± 0.0005 Å
c	23.9076 ± 0.0007 Å
α	88.543 ± 0.0008°
β	83.7684 ± 0.0008°
γ	83.3082 ± 0.0009°
Cell volume	6133.4 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
178984 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/07.	4120767.cif
106872	2014-03-17	cif/ Adding structures of 4120767 via cif-deposit CGI script.	4120767.cif