Crystallography Open Database

Information card for entry 4121596

Preview

Coordinates	4121596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 Co N3 O5
Calculated formula	C31 H27 Co N3 O5
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	13.3374 ± 0.001 Å
b	24.979 ± 0.002 Å
c	8.5046 ± 0.0007 Å
α	90°
β	99.119 ± 0.004°
γ	90°
Cell volume	2797.5 ± 0.4 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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.	4121596.cif
109080	2014-04-08	cif/ Adding structures of 4121596 via cif-deposit CGI script.	4121596.cif