Crystallography Open Database

Information card for entry 1561251

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Coordinates	1561251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 Cl4 Co N2
Calculated formula	C3.98 Cl4 Co N2
Title of publication	Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4
Authors of publication	Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	431 - 440
a	10.0256 ± 0.0006 Å
b	7.403 ± 0.0004 Å
c	17.6039 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1306.55 ± 0.14 Å³
Cell temperature	300 K
Ambient diffraction temperature	301.51 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2263
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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