Crystallography Open Database

Information card for entry 7124389

Preview

Coordinates	7124389.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(3,5 Me2TPM)(TPM)][Fe(azp)2]ClO4 2MeCN
Formula	C54 H54 Cl Fe2 N18 O8
Calculated formula	C54 H54 Cl Fe2 N18 O8
Title of publication	Double Spin Crossovers: A New Double Salt Strategy to Improve Magnetic and Memory Properties
Authors of publication	Murray, Keith S.; Phonsri, Wasinee; Jameson, Guy N. L.; Lewis, Barnaby
Journal of publication	Chemical Communications
Year of publication	2019
a	17.2097 ± 0.0008 Å
b	10.5679 ± 0.0003 Å
c	32.232 ± 0.002 Å
α	90°
β	101.23 ± 0.005°
γ	90°
Cell volume	5749.8 ± 0.5 Å³
Cell temperature	299.99 ± 0.11 K
Ambient diffraction temperature	299.99 ± 0.11 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	0.1453
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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