Crystallography Open Database

Information card for entry 7700164

Preview

Coordinates	7700164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H24 Co2 F40 O13
Calculated formula	C81 H24 Co2 F40 O13
Title of publication	Guest encapsulations in non-porous crystals of fully fluorinated dinuclear metal complexes with the M<sub>2</sub>O<sub>2</sub> core (M = Fe<sup>3+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>).
Authors of publication	Gonda, Ryu; Rzeznicka, Izabela I.; Kinoshita, Yuki; Uchida, Sayaka; Hori, Akiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9062 - 9066
a	11.3401 ± 0.0003 Å
b	12.6507 ± 0.0004 Å
c	14.9457 ± 0.0004 Å
α	84.837 ± 0.001°
β	80.425 ± 0.001°
γ	65.793 ± 0.001°
Cell volume	1927.77 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
224204 (current)	2019-11-08	cif/ Updating files of 7700160, 7700161, 7700162, 7700163, 7700164, 7700165, 7700166, 7700167 Original log message: Adding full bibliography for 7700160--7700167.cif.	7700164.cif
215700	2019-06-05	cif/ Adding structures of 7700160, 7700161, 7700162, 7700163, 7700164, 7700165, 7700166, 7700167 via cif-deposit CGI script.	7700164.cif