Crystallography Open Database

Information card for entry 7214565

Preview

Coordinates	7214565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H43 N7 Ni3 O17
Calculated formula	C44 H43 N7 Ni3 O17
Title of publication	A microporous nickel‒organic framework with an unusual 10-connected bct net and high capacity for CO2, H2 and hydrocarbons
Authors of publication	Hou, Duan-Chuan; Jiang, Gui-Yuan; Fu, Hong-Ru; Zhao, Zhen; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9499
a	18.3877 ± 0.0007 Å
b	22.2348 ± 0.0008 Å
c	13.2146 ± 0.0005 Å
α	90°
β	93.58 ± 0.003°
γ	90°
Cell volume	5392.2 ± 0.3 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	0.11
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2259
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	1.424
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
180476 (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 7/21/45.	7214565.cif
110306	2014-04-18	cif/ Adding structures of 7214565 via cif-deposit CGI script.	7214565.cif