Crystallography Open Database

Information card for entry 7209254

7209253 << 7209254 >> 7209255

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Coordinates	7209254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 N2 Ni O5
Calculated formula	C18 H12 N2 Ni O5
Title of publication	Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems
Authors of publication	Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2113
a	17.1691 ± 0.0004 Å
b	13.5523 ± 0.0004 Å
c	15.4503 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3594.99 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.2131
Weighted residual factors for all reflections included in the refinement	0.2263
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7209252
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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