Crystallography Open Database

Information card for entry 1562105

Preview

Coordinates	1562105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H77 Fe2 N3 Ni O14 S
Calculated formula	C57 H77 Fe2 N3 Ni O14 S
Title of publication	Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior
Authors of publication	Lytvynenko, Anton S.; Kiskin, Mikhail A.; Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V.; Eremenko, Igor L.; Novotortsev, Vladimir M.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	223
Pages of publication	122 - 130
a	16.59 ± 0.02 Å
b	16.79 ± 0.02 Å
c	23.58 ± 0.04 Å
α	90°
β	90°
γ	90°
Cell volume	6568 ± 16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.3379
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	0.899
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
264537 (current)	2021-04-26	cif/ Adding structures of 1562104, 1562105 via cif-deposit CGI script.	1562105.cif