Crystallography Open Database

Information card for entry 8107220

Preview

Coordinates	8107220.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<b>[catena-(bis(isothiocyano)-bis(μ~2~-(E)-N'-(pyridin-4-ylmethylene)\ isonicotinohydrazide))-iron(II)]-methanol(1/2)-(1,4-dioxane)(1/2)</b>
Formula	C36 H44 Fe N10 O8 S2
Calculated formula	C36 H44 Fe N10 O8 S2
Title of publication	Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
Authors of publication	Cui, Hong-Meng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	801 - 803
a	8.7712 ± 0.0005 Å
b	24.6087 ± 0.0012 Å
c	9.6083 ± 0.0004 Å
α	90°
β	96.952 ± 0.005°
γ	90°
Cell volume	2058.68 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.1031
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
283822 (current)	2023-05-17	cif/ Adding structures of 8107220 via cif-deposit CGI script.	8107220.cif