Crystallography Open Database

Information card for entry 7716288

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Coordinates	7716288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Fe N6 O Se2
Calculated formula	C23 H25 Fe N6 O Se2
Title of publication	Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.
Authors of publication	Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	25
Pages of publication	10637 - 10643
a	8.967 ± 0.0005 Å
b	14.6787 ± 0.0008 Å
c	9.9286 ± 0.0005 Å
α	90°
β	97.401 ± 0.005°
γ	90°
Cell volume	1295.95 ± 0.12 Å³
Cell temperature	300 ± 0.1 K
Ambient diffraction temperature	300 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2576
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation probe	x-ray
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
293065 (current)	2024-07-05	cif/ Updating files of 7716275, 7716276, 7716277, 7716278, 7716279, 7716280, 7716281, 7716282, 7716283, 7716284, 7716285, 7716286, 7716287, 7716288, 7716289, 7716290, 7716291, 7716292 Original log message: Adding full bibliography for 7716275--7716292.cif.	7716288.cif
292186	2024-06-05	cif/ Adding structures of 7716275, 7716276, 7716277, 7716278, 7716279, 7716280, 7716281, 7716282, 7716283, 7716284, 7716285, 7716286, 7716287, 7716288, 7716289, 7716290, 7716291, 7716292 via cif-deposit CGI script.	7716288.cif