Crystallography Open Database

Information card for entry 7117217

Preview

Coordinates	7117217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl11.6 Cu13.6 K1.6 O16 Pb0.4 Se4
Calculated formula	Cl11.6 Cu13.6 K1.6 O16 Pb0.4 Se4
Title of publication	Oxocentered Cu(II) lead selenite honeycomb lattices hosting Cu(I)Cl2 groups obtained by chemical vapor transport reactions
Authors of publication	Vadim M. Kovrugin; Marie Colmont; Oleg I. Siidra; Olivier Mentre; Alexander Al-Shuray; Vladislav V. Gurzhiy; Sergey V. Krivovichev
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9563
a	15.1158 ± 0.0011 Å
b	6.1853 ± 0.0004 Å
c	9.2672 ± 0.0009 Å
α	90°
β	95.965 ± 0.005°
γ	90°
Cell volume	861.75 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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