Crystallography Open Database

Information card for entry 4123892

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Coordinates	4123892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Mn2 N24 Nb O4
Calculated formula	C32 H40 Mn2 N24 Nb O4
Title of publication	Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.
Authors of publication	Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	27
Pages of publication	8795 - 8802
a	21.8286 ± 0.0001 Å
b	21.8286 ± 0.0001 Å
c	9.636 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4591.44 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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