Crystallography Open Database

Information card for entry 7121431

Preview

Coordinates	7121431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H58 Cl2 Fe N18 O8
Calculated formula	C36 H58 Cl2 Fe N18 O8
Title of publication	Double spin transition in a two dimensional Fe(ii) coordination network.
Authors of publication	Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	31
Pages of publication	3895 - 3898
a	11.706 ± 0.002 Å
b	11.68 ± 0.002 Å
c	11.898 ± 0.002 Å
α	63.1 ± 0.019°
β	89.376 ± 0.016°
γ	62.86 ± 0.018°
Cell volume	1251.2 ± 0.5 Å³
Cell temperature	220 ± 1 K
Ambient diffraction temperature	220 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1748
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2446
Weighted residual factors for all reflections included in the refinement	0.3115
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
228422 (current)	2019-11-17	cif/ Updating files of 7121429, 7121430, 7121431, 7121432, 7121433, 7121434, 7121435 Original log message: Adding full bibliography for 7121429--7121435.cif.	7121431.cif
207064	2018-03-23	cif/ Adding structures of 7121429, 7121430, 7121431, 7121432, 7121433, 7121434, 7121435 via cif-deposit CGI script.	7121431.cif