Crystallography Open Database

Information card for entry 8106399

Preview

Coordinates	8106399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 I2 N4 O Zn
Calculated formula	C17 H16 I2 N4 O Zn
Title of publication	Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-3-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O)zinc(II)], C17H16I2N4OZn
Authors of publication	Zhang, Hong; Zou, Xiaoqing; Feng, Qiran; Xu, Baoming; Pang, Haixia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1061 - 1062
a	8.8359 ± 0.0015 Å
b	15.585 ± 0.003 Å
c	15.163 ± 0.003 Å
α	90°
β	95.534 ± 0.003°
γ	90°
Cell volume	2078.3 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1265
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	No

Version history

Revision	Date	Message	Files
279902 (current)	2022-12-15	cif/ Adding structures of 8106399 via cif-deposit CGI script.	8106399.cif