Crystallography Open Database

Information card for entry 4120769

4120768 << 4120769 >> 4120770

Preview

Coordinates	4120769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C273.01 H265.51 F36 N28.5 O12 P18 Re6
Calculated formula	C273 H216 F36 N28.5 O12 P18 Re6
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	31.2399 ± 0.0005 Å
b	30.3656 ± 0.0006 Å
c	21.5745 ± 0.0005 Å
α	90°
β	131.866 ± 0.001°
γ	90°
Cell volume	15241.2 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120769.cif
106875	2014-03-17	cif/ Adding structures of 4120769 via cif-deposit CGI script.	4120769.cif