Crystallography Open Database

Information card for entry 4118433

Preview

Coordinates	4118433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 N9 Ni O7 S2
Calculated formula	C27 H25 N9 Ni O7 S2
Title of publication	Tuning the Adsorption Properties of Isoreticular Pyrazolate-Based Metal-Organic Frameworks through Ligand Modification
Authors of publication	Valentina Colombo; Carmen Montoro; Angelo Maspero; Giovanni Palmisano; Norberto Masciocchi; Simona Galli; Elisa Barea; Jorge A. R. Navarro
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12830 - 12843
a	7.45297 ± 0.00044 Å
b	15.0032 ± 0.0013 Å
c	17.612 ± 0.0026 Å
α	90°
β	91.2922 ± 0.0055°
γ	90°
Cell volume	1968.8 ± 0.4 Å³
Cell temperature	363 K
Ambient diffraction temperature	363 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118433.html