Crystallography Open Database

Information card for entry 7717124

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Coordinates	7717124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Cl2 Co N P
Calculated formula	C27 H24 Cl2 Co N P
Title of publication	Pb6Ba3Si2S8I10: A new thiohalide with a quasi-two-dimensional structure and wide band gap
Authors of publication	Zhao, Wang; Zhou, Jiazheng; Wang, Linan; Jin, Wenqi; Kong, Yingying; Chu, Yu; Li, Junjie
Journal of publication	Dalton Transactions
Year of publication	2024
a	9.1513 ± 0.0005 Å
b	12.9619 ± 0.0007 Å
c	20.7392 ± 0.001 Å
α	90°
β	92.0577 ± 0.0011°
γ	90°
Cell volume	2458.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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