Crystallography Open Database

Information card for entry 2023343

2023342 << 2023343 >> 2023344

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Coordinates	2023343.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ~2~-sulfato-κ^2^<i>O</i>^3^:<i>O</i>^4^] hemi[4,4',4'',4'''-(2,2',4,4',6,6'-hexamethyl-[1,1'-biphenyl]-3,3',5,5'-tetrayl)tetrabenzoic acid] nonahydrate]
Formula	C66 H86 N8 Ni2 O16 S2
Calculated formula	C66 H86 N8 Ni2 O16 S2
Title of publication	Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions
Authors of publication	Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Bahrin, Lucian G.; Lampeka, Yaroslaw D.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	12.1299 ± 0.0005 Å
b	18.5163 ± 0.0011 Å
c	35.621 ± 0.002 Å
α	90°
β	94.777 ± 0.004°
γ	90°
Cell volume	7972.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1881
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297060 (current)	2025-01-04	cif/ Adding structures of 2023342, 2023343 via cif-deposit CGI script.	2023343.cif