Crystallography Open Database

Information card for entry 1571904

1571903 << 1571904 >> 1571905

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Coordinates	1571904.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	12.9335 ± 0.0006 Å
b	18.7349 ± 0.0008 Å
c	17.6358 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4273.3 ± 0.3 Å³
Cell temperature	245.03 ± 0.1 K
Ambient diffraction temperature	245.03 ± 0.1 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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