Crystallography Open Database

Information card for entry 7235694

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Coordinates	7235694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 N6 Ni O6
Calculated formula	C36 H42 N6 Ni O6
Title of publication	Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine
Authors of publication	Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	49
Pages of publication	25588
a	11.0054 ± 0.0003 Å
b	17.5194 ± 0.0005 Å
c	19.5049 ± 0.0005 Å
α	90°
β	105.175 ± 0.003°
γ	90°
Cell volume	3629.57 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.053
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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