Crystallography Open Database

Information card for entry 4001756

Preview

Coordinates	4001756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2 Ni O6
Calculated formula	C15 H15 N2 Ni O6
Title of publication	Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks
Authors of publication	Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	7
Pages of publication	1047
a	16.666 ± 0.002 Å
b	16.666 ± 0.002 Å
c	7.0012 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	1684.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	189
Hermann-Mauguin space group symbol	P -6 2 m
Hall space group symbol	P -6 -2
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2182
Weighted residual factors for all reflections included in the refinement	0.2362
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178377 (current)	2016-03-20	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001756.cif
85676	2013-05-07	cif/ Adding structures of 4001756 via cif-deposit CGI script.	4001756.cif