Crystallography Open Database

Information card for entry 7048587

Preview

Coordinates	7048587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl2 Fe N4 O2
Calculated formula	C18 H26 Cl2 Fe 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	10.0933 ± 0.0006 Å
b	11.4226 ± 0.0007 Å
c	17.1223 ± 0.001 Å
α	90°
β	95.803 ± 0.002°
γ	90°
Cell volume	1963.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
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.	7048587.cif
213032	2019-01-13	cif/ Adding structures of 7048585, 7048586, 7048587, 7048588, 7048589, 7048590, 7048591 via cif-deposit CGI script.	7048587.cif