Crystallography Open Database

Information card for entry 1508097

Preview

Coordinates	1508097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H64 Co3 N30 S22
Calculated formula	C102 H64 Co3 N30 S22
Title of publication	Networked molecular cages as crystalline sponges for fullerenes and other guests.
Authors of publication	Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	9
Pages of publication	780 - 783
a	26.405 ± 0.004 Å
b	26.405 ± 0.004 Å
c	36.631 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	25540 ± 6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.1476
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.2604
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508097.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508097.cif
62643	2012-07-09	cif/ Adding structures of 1508097 via cif-deposit CGI script.	1508097.cif