Crystallography Open Database

Information card for entry 7211379

Preview

Coordinates	7211379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H48 N5 Ni3 O19
Calculated formula	C55 H48 N5 Ni3 O19
Title of publication	Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands
Authors of publication	Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	47
Pages of publication	10287
a	13.144 ± 0.0005 Å
b	16.1395 ± 0.0008 Å
c	17.3653 ± 0.0009 Å
α	112.258 ± 0.005°
β	104.013 ± 0.004°
γ	96.65 ± 0.004°
Cell volume	3218.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1097
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211379.cif
91453	2013-12-13	cif/ Adding structures of 7211372, 7211373, 7211374, 7211375, 7211376, 7211377, 7211378, 7211379 via cif-deposit CGI script.	7211379.cif