Crystallography Open Database

Information card for entry 8105768

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Coordinates	8105768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Ni O10
Calculated formula	C16 H22 Ni O10
Title of publication	Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
Authors of publication	Jin, Lanlan; Tao, Defu; Hu, Rongyue; Pang, Haixia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	523 - 525
a	9.7643 ± 0.0012 Å
b	15.44 ± 0.002 Å
c	13.6274 ± 0.0013 Å
α	90°
β	122.253 ± 0.006°
γ	90°
Cell volume	1737.5 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
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	0.0518
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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