Crystallography Open Database

Information card for entry 4517354

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Structure parameters

Formula	C22 H20 N2 Pb Se2
Calculated formula	C22 H20 N2 Pb Se2
Title of publication	Solution and Solid-State Characterization of PbSe Precursors
Authors of publication	Vartak, Prathamesh B.; Wang, Zhongyong; Groy, Thomas L.; Trovitch, Ryan J.; Wang, Robert Y.
Journal of publication	ACS Omega
Year of publication	2020
a	5.4824 ± 0.0002 Å
b	9.0496 ± 0.0003 Å
c	21.3585 ± 0.0008 Å
α	90°
β	93.8688 ± 0.0005°
γ	90°
Cell volume	1057.26 ± 0.07 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4517354.cif
247221	2020-01-25	cif/ Adding structures of 4517354 via cif-deposit CGI script.	4517354.cif