Crystallography Open Database

Information card for entry 2021843

2021842 << 2021843 >> 2021844

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Coordinates	2021843.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[dinitratocopper(II)]-bis(μ-2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole)]‒methanol‒water (1/1/0.65)]
Formula	C36 H35.3 Cd N12 O10.65
Calculated formula	C36 H35.3 Cd N12 O10.65
Title of publication	Three Ag^I^, Cu^I^ and Cd^II^ coordination polymers based on the new asymmetrical ligand 2-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole: syntheses, characterization and emission properties
Authors of publication	Jin, Guo-Xia; You, Tian-Chao; Ma, Jian-Ping
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	12
a	9.4532 ± 0.0003 Å
b	14.9309 ± 0.0005 Å
c	15.8386 ± 0.0006 Å
α	108.975 ± 0.003°
β	99.904 ± 0.003°
γ	104.901 ± 0.003°
Cell volume	1961.42 ± 0.14 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0437
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243812 (current)	2019-11-28	cif/ hkl/ Adding structures of 2021842, 2021843, 2021844 via cif-deposit CGI script.	2021843.cif