Crystallography Open Database

Information card for entry 1545770

Preview

Coordinates	1545770.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co2(dobdc)(CO)1.19
Formula	C9.19 H2 Co2 O7.19
Calculated formula	C9.18 H2 Co2 O7.18
Title of publication	Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction
Authors of publication	Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R.
Journal of publication	Chem. Sci.
Year of publication	2017
a	25.853 ± 0.003 Å
b	25.853 ± 0.003 Å
c	6.8494 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3964.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195605 (current)	2017-04-20	cif/ Adding structures of 1545763, 1545764, 1545765, 1545766, 1545767, 1545768, 1545769, 1545770 via cif-deposit CGI script.	1545770.cif