Crystallography Open Database

Information card for entry 7227560

Preview

Coordinates	7227560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H50 Ce2 I6 N6 O14
Calculated formula	C72 H50 Ce2 I6 N6 O14
Title of publication	RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials
Authors of publication	August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	8
Pages of publication	1190
a	11.198 ± 0.005 Å
b	13.03 ± 0.005 Å
c	14.604 ± 0.005 Å
α	69.314 ± 0.004°
β	89.085 ± 0.003°
γ	72.956 ± 0.005°
Cell volume	1896.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193756 (current)	2017-03-05	cif/ Updating files of 7227558, 7227559, 7227560, 7227561, 7227562, 7227563, 7227564, 7227565, 7227566, 7227567, 7227568, 7227569, 7227570, 7227571, 7227572, 7227573, 7227574, 7227575, 7227576, 7227577, 7227578 Original log message: Adding full bibliography for 7227558--7227578.cif.	7227560.cif
191147	2017-01-31	cif/ Adding structures of 7227558, 7227559, 7227560, 7227561, 7227562, 7227563, 7227564, 7227565, 7227566, 7227567, 7227568, 7227569, 7227570, 7227571, 7227572, 7227573, 7227574, 7227575, 7227576, 7227577, 7227578 via cif-deposit CGI script.	7227560.cif