Crystallography Open Database

Information card for entry 7218786

Preview

Coordinates	7218786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H41 N6 Ni2 O18
Calculated formula	C34 H39 N6 Ni2 O18
Title of publication	Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid
Authors of publication	Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62285
a	22.128 ± 0.0009 Å
b	14.5817 ± 0.0004 Å
c	28.083 ± 0.0012 Å
α	90°
β	116.316 ± 0.005°
γ	90°
Cell volume	8122.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0836
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (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 7/21/87.	7218786.cif
127512	2014-11-19	cif/ Adding structures of 7218783, 7218784, 7218785, 7218786 via cif-deposit CGI script.	7218786.cif