Crystallography Open Database

Information card for entry 4001757

Preview

Coordinates	4001757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.67 H31.67 N4 Ni2 O12.67
Calculated formula	C31.6 H28.4 N4 Ni2 O12.6
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	16.586 ± 0.005 Å
b	16.586 ± 0.005 Å
c	18.124 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	4318 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.2403
Residual factor for significantly intense reflections	0.1172
Weighted residual factors for significantly intense reflections	0.2531
Weighted residual factors for all reflections included in the refinement	0.3168
Goodness-of-fit parameter for all reflections included in the refinement	0.877
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4001757.cif
85677	2013-05-07	cif/ Adding structures of 4001757 via cif-deposit CGI script.	4001757.cif