Crystallography Open Database

Information card for entry 7019038

7019037 << 7019038 >> 7019039

Preview

Coordinates	7019038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N6 O4 Pb
Calculated formula	C16 H12 N6 O4 Pb
SMILES	c12c3ccc(C)[n]2[Pb]2(Oc1n[nH]c3=O)[n]1c3c(ccc1C)c(=O)[nH]nc3O2
Title of publication	New monoacylhydrazidate-coordinated Mn2+ and Pb2+ compounds
Authors of publication	Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	20
Pages of publication	6137
a	26.2256 ± 0.0008 Å
b	4.5849 ± 0.0001 Å
c	15.5411 ± 0.0006 Å
α	90°
β	119.667 ± 0.003°
γ	90°
Cell volume	1623.74 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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