Crystallography Open Database

Information card for entry 7106986

Preview

Coordinates	7106986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.71 H21.51 Cu3 N5.9 O13
Calculated formula	C15.706 H21.51 Cu3 N5.902 O13
Title of publication	Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes
Authors of publication	Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	11882
a	17.6342 ± 0.0006 Å
b	17.6342 ± 0.0006 Å
c	33.4999 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10417.3 ± 0.6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1357
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	0.738
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/7106986.html