Crystallography Open Database

Information card for entry 7052618

Preview

Coordinates	7052618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N4 Ni O6
Calculated formula	C20 H18 N4 Ni O6
Title of publication	Structural diversity and properties of M(ii) phenyl substituted pyrazole carboxylate complexes with 0D-, 1D-, 2D- and 3D frameworks
Authors of publication	Gong, Yunnan; Liu, Chongbo; Wen, Huiliang; Yan, Liushui; Xiong, Zhiqiang; Ding, Liang
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	4
Pages of publication	865
a	6.6139 ± 0.0007 Å
b	6.9872 ± 0.0007 Å
c	10.4414 ± 0.0011 Å
α	79.736 ± 0.001°
β	82.999 ± 0.001°
γ	75.092 ± 0.001°
Cell volume	457.35 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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