Crystallography Open Database

Information card for entry 1563846

Preview

Coordinates	1563846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 N6 O4
Calculated formula	C30 H24 N6 O4
SMILES	c1cc(ccn1)NC(=O)Nc1ccccc1Oc1ccccc1Oc1ccccc1NC(=O)Nc1ccncc1
Title of publication	Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands
Authors of publication	Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	252 - 257
a	14.3314 ± 0.0014 Å
b	14.7603 ± 0.0014 Å
c	12.1194 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2563.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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