Crystallography Open Database

Information card for entry 8106440

Preview

Coordinates	8106440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl2 Fe2 N14 O6
Calculated formula	C36 H42 Cl2 Fe2 N14 O6
Title of publication	Crystal structure of dinuclear dichloridobis(dimethylformamide-kO)bis[μ2-3-(2-oxyphenyl)-5-(pyrazin-2-yl)-1,2,4-triazol-1ido-κ4-O,N:N′,N′′(2 − )]diiron(III) − dimethylformamide (1/1), C36H42Cl2Fe2N14O6
Authors of publication	Cao, Xin; Sun, Jianhua; Li, Weihua; Lu, Hui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	85 - 86
a	10.44 ± 0.04 Å
b	9.13 ± 0.03 Å
c	22.46 ± 0.07 Å
α	90°
β	100.88 ± 0.04°
γ	90°
Cell volume	2102 ± 12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0938
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
280277 (current)	2023-01-11	cif/ Adding structures of 8106440 via cif-deposit CGI script.	8106440.cif