Crystallography Open Database

Information card for entry 7701505

Preview

Coordinates	7701505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C347.64 H811.16 In60 N57.94 Se118.97
Calculated formula	In60 Se118.968
Title of publication	Highly open chalcogenide frameworks built from unusual defective supertetrahedral clusters.
Authors of publication	Xue, Chaozhuang; Zhang, Li; Wang, Xiaoli; Wang, Xiang; Zhang, Jiaxu; Wu, Tao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	29
Pages of publication	10799 - 10803
a	27.6136 ± 0.001 Å
b	24.8147 ± 0.0009 Å
c	24.093 ± 0.0008 Å
α	90°
β	93.616 ± 0.001°
γ	90°
Cell volume	16476.2 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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