Crystallography Open Database

Information card for entry 7222364

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Structure parameters

Formula	C12 H22 N10 O7 Pb
Calculated formula	C12 H22 N10 O7 Pb
SMILES	[Pb]([n]1ccc(c2[n-]nnn2)cc1)([n]1ccc(c2n[n-]nn2)cc1)([OH2])([OH2])[OH2].O.O.O.O
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	8.125 ± 0.0016 Å
b	10.772 ± 0.002 Å
c	12.866 ± 0.003 Å
α	70.45 ± 0.03°
β	76.89 ± 0.03°
γ	89.02 ± 0.03°
Cell volume	1031.4 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	0.786
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7222364.cif
159059	2015-09-30	cif/ Adding structures of 7222364, 7222365 via cif-deposit CGI script.	7222364.cif