Crystallography Open Database

Information card for entry 7221955

7221954 << 7221955 >> 7221956

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Coordinates	7221955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 B F4 Fe2 N O
Calculated formula	C28 H28 B F4 Fe2 N O
Title of publication	Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization
Authors of publication	Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	39
Pages of publication	7564
a	12.7933 ± 0.0006 Å
b	13.4321 ± 0.0007 Å
c	15.0676 ± 0.0008 Å
α	107.118 ± 0.001°
β	91.053 ± 0.001°
γ	93.358 ± 0.001°
Cell volume	2468.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
171027 (current)	2015-12-09	cif/ Updating files of 7221953, 7221954, 7221955, 7221956, 7221957 Original log message: Adding full bibliography for 7221953--7221957.cif.	7221955.cif
153862	2015-09-01	cif/ Adding structures of 7221953, 7221954, 7221955, 7221956, 7221957 via cif-deposit CGI script.	7221955.cif