Crystallography Open Database

Information card for entry 7133837

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Coordinates	7133837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H38 Br10 N6 O Pb2
Calculated formula	C12 H37.9999 Br10 N6 O Pb2
Title of publication	A core-shell model of polymetallic hybrid metal halides
Authors of publication	Tian, Dongjie; Lin, Jie; Mesbah, Adel; Zhou, Jiajing; Yang, Mianji; Gautier, Romain; Chen, Xi
Journal of publication	Chemical Communications
Year of publication	2024
a	13.7743 ± 0.0004 Å
b	17.5198 ± 0.0007 Å
c	13.7748 ± 0.0004 Å
α	90°
β	96.25°
γ	90°
Cell volume	3304.42 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0527
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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