Crystallography Open Database

Information card for entry 8106441

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Coordinates	8106441.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Bis(Nitrate)(3-(4-pyridyl)pyrazole)(water)zinc(II)]
Formula	C16 H18 Mn N8 O8
Calculated formula	C16 H18 Mn N8 O8
Title of publication	Crystal structure of diaqua-dinitrato-κO-bis(4-(1H-pyrazol-3-yl)pyridine-κN)manganese(II), C16H18MnN8O8
Authors of publication	Zhu, Guang-Zhou; Li, Chun-Ling; Feng, Yu-Yu; Feng, Xiao-Wan; Yang, Feng-Lei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	87 - 88
a	7.3533 ± 0.0003 Å
b	11.8078 ± 0.0005 Å
c	12.6376 ± 0.0005 Å
α	90°
β	110.028 ± 0.002°
γ	90°
Cell volume	1030.92 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0338
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
280278 (current)	2023-01-11	cif/ Adding structures of 8106441 via cif-deposit CGI script.	8106441.cif