Crystallography Open Database

Information card for entry 7222365

Preview

Coordinates	7222365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N10 O4 Pb
Calculated formula	C16 H12 N10 O4 Pb
Title of publication	Substituted group directed assembly of energetic lead(II) compounds based on structure-relevant ligands
Authors of publication	Yang, Gao-Wen; Zhang, Fei Fei; Wu, Qi; Cao, Meng Jie; Bai, Yu; Li, Qiao-Yun; Wei, Bo; Zou, Jian Hua
Journal of publication	RSC Adv.
Year of publication	2015
a	12.992 ± 0.0015 Å
b	4.9834 ± 0.0006 Å
c	15.3611 ± 0.0018 Å
α	90°
β	109.349 ± 0.0017°
γ	90°
Cell volume	938.37 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.208
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222365.cif
159059	2015-09-30	cif/ Adding structures of 7222364, 7222365 via cif-deposit CGI script.	7222365.cif