Crystallography Open Database

Information card for entry 7706255

Preview

Coordinates	7706255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 Cl2 Mn2 N8 O2
Calculated formula	C27 H34 Cl2 Mn2 N8 O2
Title of publication	CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.
Authors of publication	Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	44
Pages of publication	15758 - 15768
a	17.344 ± 0.003 Å
b	17.344 ± 0.003 Å
c	8.807 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	2294.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.1607
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.254
Weighted residual factors for all reflections included in the refinement	0.3084
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.8104 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295947 (current)	2024-11-16	Replaced the '\/Y' character sequence with the backslash character ('\') in multiple data values.	7706255.cif
260510	2021-01-05	cif/ Adding structures of 7706253, 7706254, 7706255, 7706256, 7706257 via cif-deposit CGI script.	7706255.cif