Crystallography Open Database

Information card for entry 2021717

2021716 << 2021717 >> 2021718

Preview

Coordinates	2021717.cif
Structure factors	2021717.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[lead(II)-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]
Formula	C28 H24 Cl2 N12 O14 Pb
Calculated formula	C28 H24 Cl2 N12 O14 Pb
SMILES	[Pb]12([n]3c4c5[n]1cccc5C51NC(=O)NC1(NC(=O)N5)c4ccc3)[n]1c3c4[n]2cccc4C24NC(=O)NC4(NC(=O)N2)c3ccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
Title of publication	Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions
Authors of publication	Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	8
a	15.2909 ± 0.0003 Å
b	14.2702 ± 0.0003 Å
c	15.4064 ± 0.0004 Å
α	90°
β	92.174 ± 0.002°
γ	90°
Cell volume	3359.32 ± 0.13 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
216918 (current)	2019-07-10	cif/ hkl/ Adding structures of 2021716, 2021717 via cif-deposit CGI script.	2021717.cif 2021717.hkl