Crystallography Open Database

Information card for entry 8106050

Preview

Coordinates	8106050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Mn N4 O6
Calculated formula	C8 H10 Mn N4 O6
Title of publication	Crystal structure of trans-diaqua-bis(1H-pyrazole-3-carboxylato-κ2 N,O)manganese(II), C8H10N4O6Mn
Authors of publication	Wang, Hui; Gao, Yang; Lü, Lei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	77 - 78
a	5.1531 ± 0.0005 Å
b	11.7052 ± 0.0011 Å
c	9.4154 ± 0.0007 Å
α	90°
β	95.154 ± 0.001°
γ	90°
Cell volume	565.62 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0262
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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