Crystallography Open Database

Information card for entry 7060637

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Structure parameters

Common name	diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate
Chemical name	diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate
Formula	C24 H44 Cl2 Mn N16 O10
Calculated formula	C24 H44 Cl2 Mn N16 O10
Title of publication	Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles
Authors of publication	Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	25
Pages of publication	11042 - 11050
a	10.7162 ± 0.0004 Å
b	11.9386 ± 0.0006 Å
c	15.5566 ± 0.0007 Å
α	68.044 ± 0.004°
β	79.661 ± 0.004°
γ	77.005 ± 0.004°
Cell volume	1788.58 ± 0.15 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 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	0.0768
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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