Crystallography Open Database

Information card for entry 7715513

Preview

Coordinates	7715513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170 H256 B2 Co2 Fe2 N28 O22 S2
Calculated formula	C170 H256 B2 Co2 Fe2 N28 O22 S2
Title of publication	Reversible structural change of [Co<sub>2</sub>Fe<sub>2</sub>] complexes between diamagnetic hydrogen-bonded 1D chains and paramagnetic complexes within a layered structure of amphiphilic anions.
Authors of publication	Mihara, Nozomi; Iitsuka, Soyoka; Shiga, Takuya; Nihei, Masayuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	7190 - 7196
a	12.8879 ± 0.0008 Å
b	17.7778 ± 0.0012 Å
c	22.5479 ± 0.0015 Å
α	75.892 ± 0.001°
β	79.585 ± 0.001°
γ	71.793 ± 0.001°
Cell volume	4728.7 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2057
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291633 (current)	2024-05-05	cif/ Updating files of 7715513, 7715514, 7715515 Original log message: Adding full bibliography for 7715513--7715515.cif.	7715513.cif
290630	2024-03-26	cif/ Adding structures of 7715513, 7715514, 7715515 via cif-deposit CGI script.	7715513.cif