Crystallography Open Database

Information card for entry 1571905

1571904 << 1571905 >> 1571906

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Coordinates	1571905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 I6 N2 Pb2
Calculated formula	C7 H12 I6 N2 Pb2
Title of publication	Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.
Authors of publication	Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11374 - 11381
a	12.9548 ± 0.0006 Å
b	18.8648 ± 0.0009 Å
c	17.6101 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4303.7 ± 0.3 Å³
Cell temperature	299.13 ± 0.1 K
Ambient diffraction temperature	299.13 ± 0.1 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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