Crystallography Open Database

Information card for entry 7216785

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Coordinates	7216785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N2 Ni O7
Calculated formula	C14 H18 N2 Ni O7
Title of publication	Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect
Authors of publication	Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6433
a	26.4001 ± 0.0012 Å
b	8.6506 ± 0.0004 Å
c	16.5796 ± 0.0008 Å
α	90°
β	115.898 ± 0.001°
γ	90°
Cell volume	3406.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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