Crystallography Open Database

Information card for entry 7214145

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Coordinates	7214145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Mn N6 O6
Calculated formula	C16 H16 Mn N6 O6
Title of publication	Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks
Authors of publication	Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	13
Pages of publication	2660
a	16.2735 ± 0.0018 Å
b	7.0113 ± 0.0008 Å
c	7.9722 ± 0.0009 Å
α	90°
β	90.037 ± 0.001°
γ	90°
Cell volume	909.61 ± 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	0.0402
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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