Crystallography Open Database

Information card for entry 7116321

Preview

Coordinates	7116321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H41 Cl2 N12 Ni O2.5
Calculated formula	C40 H41 Cl2 N12 Ni O2.5
Title of publication	A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic properties for silylcyanation of aromatic aldehydes
Authors of publication	Xiao-Meng Zhang; Chao-Wei Zhao; Jian-Ping Ma; Yang Yu; Qi-Kui Liu; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	839
a	17.979 ± 0.012 Å
b	21.364 ± 0.014 Å
c	13.657 ± 0.009 Å
α	90°
β	130.835 ± 0.007°
γ	90°
Cell volume	3969 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0612
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116321.cif
129542	2015-01-12	cif/ Adding structures of 7116319, 7116320, 7116321, 7116322 via cif-deposit CGI script.	7116321.cif