Crystallography Open Database

Information card for entry 7048589

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Coordinates	7048589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 N4 O2
Calculated formula	C18 H26 N4 O2
Title of publication	O-H and (CO)N-H bond weakening by coordination to Fe(ii).
Authors of publication	Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2179 - 2189
a	8.5565 ± 0.0003 Å
b	11.9424 ± 0.0005 Å
c	8.8195 ± 0.0004 Å
α	90°
β	105.296 ± 0.001°
γ	90°
Cell volume	869.3 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224143 (current)	2019-11-07	cif/ Updating files of 7048585, 7048586, 7048587, 7048588, 7048589, 7048590, 7048591 Original log message: Adding full bibliography for 7048585--7048591.cif.	7048589.cif
213032	2019-01-13	cif/ Adding structures of 7048585, 7048586, 7048587, 7048588, 7048589, 7048590, 7048591 via cif-deposit CGI script.	7048589.cif