Crystallography Open Database

Information card for entry 7116949

Preview

Coordinates	7116949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H63 Mn3 N12 O12
Calculated formula	C75 H63 Mn3 N12 O12
Title of publication	Probing post-synthetic metallation in metal-organic frameworks: insights from X-ray crystallography.
Authors of publication	Bloch, Witold M.; Burgun, Alexandre; Doonan, Christian J.; Sumby, Christopher J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	25
Pages of publication	5486 - 5489
a	12.281 ± 0.003 Å
b	12.919 ± 0.003 Å
c	30.425 ± 0.006 Å
α	94.65 ± 0.03°
β	93.93 ± 0.03°
γ	92.4 ± 0.03°
Cell volume	4794.5 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7116949.html