Crystallography Open Database

Information card for entry 7121518

Preview

Coordinates	7121518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 B2 Fe2 N18 Ni O7
Calculated formula	C24 H20 B2 Fe2 N18 Ni O7
Title of publication	A [Fe<sup>III</sup>(Tp)(CN)<sub>3</sub>]<sup>-</sup> scorpionate-based complex as a building block for designing ion storage hosts (Tp: hydrotrispyrazolylborate).
Authors of publication	Jiménez, Juan-Ramón; Sugahara, Akira; Okubo, Masashi; Yamada, Atsuo; Chamoreau, Lise-Marie; Lisnard, Laurent; Lescouëzec, Rodrigue
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	41
Pages of publication	5189 - 5192
a	28.851 ± 0.007 Å
b	9.668 ± 0.002 Å
c	13.718 ± 0.003 Å
α	90°
β	101.205 ± 0.011°
γ	90°
Cell volume	3753.4 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1421
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.2482
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
228077 (current)	2019-11-17	cif/ Updating files of 7121518 Original log message: Adding full bibliography for 7121518.cif.	7121518.cif
207366	2018-04-17	cif/ Adding structures of 7121518 via cif-deposit CGI script.	7121518.cif