Crystallography Open Database

Information card for entry 4121598

Preview

Coordinates	4121598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Co3 N6 O12
Calculated formula	C48 H36 Co3 N6 O12
Title of publication	Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.
Authors of publication	Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	13
Pages of publication	5072 - 5077
a	17.4848 ± 0.0008 Å
b	17.4848 ± 0.0008 Å
c	20.2126 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6179.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.1231
Weighted residual factors for significantly intense reflections	0.302
Weighted residual factors for all reflections included in the refinement	0.3268
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121598.cif
109082	2014-04-08	cif/ Adding structures of 4121598 via cif-deposit CGI script.	4121598.cif