Crystallography Open Database

Information card for entry 4500744

Preview

Coordinates	4500744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H86 Cu4 N12 O21
Calculated formula	C60 H86 Cu4 N12 O21
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	13.7561 ± 0.0003 Å
b	13.7561 ± 0.0003 Å
c	25.5306 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4831.2 ± 0.3 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	0.1297
Residual factor for significantly intense reflections	0.1266
Weighted residual factors for significantly intense reflections	0.2867
Weighted residual factors for all reflections included in the refinement	0.2888
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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.	4500744.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500744.cif
34618	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500744 via cif-deposit CGI script.	4500744.cif