Crystallography Open Database

Information card for entry 4500745

Preview

Coordinates	4500745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H96 N12 Ni4 O26
Calculated formula	C60 H96 N12 Ni4 O26
Title of publication	Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits
Authors of publication	Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2695
a	13.7327 ± 0.0015 Å
b	13.7327 ± 0.0015 Å
c	25.466 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4802.6 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.187
Residual factor for significantly intense reflections	0.1533
Weighted residual factors for significantly intense reflections	0.3268
Weighted residual factors for all reflections included in the refinement	0.3551
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
179538 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/07.	4500745.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500745.cif
34619	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500745 via cif-deposit CGI script.	4500745.cif