Crystallography Open Database

Information card for entry 4111697

Preview

Coordinates	4111697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Co N5 O7
Calculated formula	C17 H13 Co N5 O7
Title of publication	In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material
Authors of publication	Gregory J. Halder; Cameron J. Kepert
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	7891 - 7900
a	12.22 ± 0.004 Å
b	19.151 ± 0.007 Å
c	17.46 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4086 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4111697.html