Crystallography Open Database

Information card for entry 7700162

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Coordinates	7700162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H42 F40 Fe2 O15
Calculated formula	C97 H42 F40 Fe2 O15
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	13.1423 ± 0.0008 Å
b	13.7532 ± 0.0006 Å
c	14.2588 ± 0.0006 Å
α	66.06 ± 0.001°
β	80.465 ± 0.002°
γ	81.042 ± 0.002°
Cell volume	2311.8 ± 0.2 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	0.116
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7700162.cif
215700	2019-06-05	cif/ Adding structures of 7700160, 7700161, 7700162, 7700163, 7700164, 7700165, 7700166, 7700167 via cif-deposit CGI script.	7700162.cif