Crystallography Open Database

Information card for entry 4121599

Preview

Coordinates	4121599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Co N2 O4
Calculated formula	C28 H20 Co N2 O4
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	12.802 ± 0.0003 Å
b	34.9232 ± 0.0008 Å
c	43.7551 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	19562.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	22
Hermann-Mauguin space group symbol	F 2 2 2
Hall space group symbol	F 2 2
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.2028
Weighted residual factors for all reflections included in the refinement	0.2108
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4121599.cif
109083	2014-04-08	cif/ Adding structures of 4121599 via cif-deposit CGI script.	4121599.cif