Crystallography Open Database

Information card for entry 7017352

Preview

Coordinates	7017352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H50 N8 Ni3 O20
Calculated formula	C68 H50 N8 Ni3 O20
Title of publication	Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.
Authors of publication	Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	44
Pages of publication	11856 - 11865
a	16.292 ± 0.004 Å
b	30.712 ± 0.008 Å
c	51.727 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	25882 ± 12 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179877 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/73.	7017352.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017352.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017352.cif
31315	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017349, 7017350, 7017351, 7017352, 7017353, 7017354 via cif-deposit CGI script.	7017352.cif