Crystallography Open Database

Information card for entry 8107031

Preview

Coordinates	8107031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 N8 O4 Pb
Calculated formula	C28 H18 N8 O4 Pb
SMILES	[Pb]12([O]=C(O1)c1ccc(c3nc(n[nH]3)c3cnccc3)cc1)[O]=C(O2)c1ccc(cc1)c1nc(n[nH]1)c1cccnc1
Title of publication	Crystal structure of poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ3 N:O,O′)-lead(II)], C28H18O4N8Pb
Authors of publication	Chen, Shi-Jun; Li, Lei; Liu, Bao-Wei; Ji, Ke-Zhi; Xia, Xiao-Dong; Mu, Kai; Liu, Wei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	863 - 865
a	9.4277 ± 0.0016 Å
b	10.9506 ± 0.0018 Å
c	12.689 ± 0.002 Å
α	86.356 ± 0.002°
β	76.565 ± 0.002°
γ	89.669 ± 0.002°
Cell volume	1271.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0388
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
282385 (current)	2023-04-05	cif/ Adding structures of 8107031 via cif-deposit CGI script.	8107031.cif