Crystallography Open Database

Information card for entry 7247116

Preview

Coordinates	7247116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H78 Cl6 Fe4 N O60
Calculated formula	C74 H78 Cl6 Fe4 N O60
Title of publication	Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules
Authors of publication	Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	34
Pages of publication	4793 - 4797
a	27.4286 ± 0.0008 Å
b	17.9342 ± 0.0002 Å
c	15.0384 ± 0.0004 Å
α	90°
β	133.511 ± 0.005°
γ	90°
Cell volume	5365 ± 0.5 Å³
Cell temperature	223 ± 0.1 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286121 (current)	2023-09-05	cif/ Updating files of 7247116, 7247117, 7247118, 7247119 Original log message: Adding full bibliography for 7247116--7247119.cif.	7247116.cif
285412	2023-08-02	cif/ Adding structures of 7247116, 7247117, 7247118, 7247119 via cif-deposit CGI script.	7247116.cif