Crystallography Open Database

Information card for entry 8105932

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Coordinates	8105932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N6 O6.5 Zn
Calculated formula	C26 H21 N6 O6.5 Zn
Title of publication	Crystal structure of catena-poly[(μ2-isophthalato-κ2 O:O′)-(2,5-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)zinc(II)] — water (2/5), C26H21N6O6.5Zn
Authors of publication	Wang, Yu-Fang; Zhang, Yong-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	1043 - 1045
a	18.3123 ± 0.0003 Å
b	8.97463 ± 0.00015 Å
c	30.1437 ± 0.0005 Å
α	90°
β	99.5396 ± 0.0016°
γ	90°
Cell volume	4885.49 ± 0.14 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	0.0393
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278699 (current)	2022-10-21	cif/ Adding structures of 8105932 via cif-deposit CGI script.	8105932.cif