Crystallography Open Database

Information card for entry 7240086

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Structure parameters

Formula	C12 H10 N6 O7 Pb
Calculated formula	C12 H10 N6 O7 Pb
SMILES	[Pb]123([N](NC(=[O]1)c1ncccc1)=Cc1[n]3cccc1)(ON(=[O]2)=O)ON(=O)=O
Title of publication	Supramolecular lead(II) architectures engineered by tetrel bonds
Authors of publication	Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon
Journal of publication	CrystEngComm
Year of publication	2020
a	17.2085 ± 0.0006 Å
b	12.9123 ± 0.0005 Å
c	7.4057 ± 0.0002 Å
α	90°
β	98.71 ± 0.002°
γ	90°
Cell volume	1626.58 ± 0.1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.0218
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0384
Weighted residual factors for all reflections included in the refinement	0.0395
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240086.cif
249166	2020-03-07	cif/ Adding structures of 7240086, 7240087, 7240088 via cif-deposit CGI script.	7240086.cif