Crystallography Open Database

Information card for entry 7215040

Preview

Coordinates	7215040.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ni3(obc)3(bpy)2)(H2O)
Formula	C62 H42 N4 Ni3 O16
Calculated formula	C62 H40 N4 Ni3 O16
Title of publication	Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units
Authors of publication	Kim, YooJin; Jung, Duk-Young
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	14
Pages of publication	4567
a	15.163 ± 0.005 Å
b	16.373 ± 0.004 Å
c	23.383 ± 0.005 Å
α	90°
β	97.486 ± 0.018°
γ	90°
Cell volume	5756 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1181
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180481 (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 7/21/50.	7215040.cif
111020	2014-04-20	cif/ Adding structures of 7215036, 7215037, 7215038, 7215039, 7215040 via cif-deposit CGI script.	7215040.cif