Crystallography Open Database

Information card for entry 7227200

Preview

Coordinates	7227200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 B2 Cu F7.97 N4 O4
Calculated formula	C54 H52 B2 Cu F7.931 N4 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	12.8199 ± 0.0009 Å
b	12.8199 ± 0.0009 Å
c	32.617 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5360.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.1507
Residual factor for significantly intense reflections	0.1033
Weighted residual factors for significantly intense reflections	0.2671
Weighted residual factors for all reflections included in the refinement	0.3199
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7227200.cif
188792	2016-12-01	cif/ Adding structures of 7227200, 7227201 via cif-deposit CGI script.	7227200.cif