Crystallography Open Database

Information card for entry 7121434

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Coordinates	7121434.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	11.5506 ± 0.0005 Å
b	11.5833 ± 0.0005 Å
c	11.6586 ± 0.0005 Å
α	62.604 ± 0.004°
β	88.651 ± 0.003°
γ	62.157 ± 0.004°
Cell volume	1187.64 ± 0.12 Å³
Cell temperature	80 ± 1 K
Ambient diffraction temperature	80 ± 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	0.0755
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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