Crystallography Open Database

Information card for entry 7701772

Preview

Coordinates	7701772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C I3 K2 N O Pb
Calculated formula	C I3 K2 N O Pb
Title of publication	Synthesis and investigation into the structural, electronic and electrical properties of K<sub>2</sub>Pb(OCN)I<sub>3</sub>.
Authors of publication	Siai, Amira; Oprea, Alexandru; Ströbele, Markus; Meyer, Hans-Jürgen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	36
Pages of publication	13813 - 13819
a	16.2947 ± 0.0016 Å
b	16.2947 ± 0.0016 Å
c	16.2947 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4326.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0173
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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