Crystallography Open Database

Information card for entry 7227201

Preview

Coordinates	7227201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H16 F12 Mn N2 O4
Calculated formula	C29 H16 F12 Mn N2 O4
Title of publication	Coordination polymers constructed from tetrahedral-shaped adamantane tectons
Authors of publication	Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	1
Pages of publication	27
a	11.645 ± 0.005 Å
b	11.645 ± 0.005 Å
c	52.7 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	7146 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1674
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	0.885
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191576 (current)	2017-02-04	cif/ Updating files of 7227200, 7227201 Original log message: Adding full bibliography for 7227200--7227201.cif.	7227201.cif
188792	2016-12-01	cif/ Adding structures of 7227200, 7227201 via cif-deposit CGI script.	7227201.cif