Crystallography Open Database

Information card for entry 7700166

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Coordinates	7700166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H24 F40 Ni2 O13
Calculated formula	C81 H24 F40 Ni2 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	11.332 ± 0.0003 Å
b	12.6485 ± 0.0003 Å
c	14.8671 ± 0.0004 Å
α	84.882 ± 0.001°
β	80.385 ± 0.001°
γ	65.671 ± 0.001°
Cell volume	1913.93 ± 0.09 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	0.037
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7700166.cif
215700	2019-06-05	cif/ Adding structures of 7700160, 7700161, 7700162, 7700163, 7700164, 7700165, 7700166, 7700167 via cif-deposit CGI script.	7700166.cif