Crystallography Open Database

Information card for entry 4120768

4120767 << 4120768 >> 4120769

Preview

Coordinates	4120768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H146 F24 N14 O8 P12 Re4
Calculated formula	C163.987 H128 F24.04 N13.9867 O8 P12.0067 Re4
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	46.6523 ± 0.0001 Å
b	46.6523 ± 0.0001 Å
c	46.6523 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	101536 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	219
Hermann-Mauguin space group symbol	F -4 3 c
Hall space group symbol	F -4a 2 3
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
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.	4120768.cif
106873	2014-03-17	cif/ Adding structures of 4120768 via cif-deposit CGI script.	4120768.cif