Crystallography Open Database

Information card for entry 7048340

Preview

Coordinates	7048340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cr2 F8 O10
Calculated formula	C36 H28 Cr2 F8 O10
Title of publication	Strong electronic influence of equatorial ligands on frontier orbitals in paddlewheel dichromium(ii,ii) complexes.
Authors of publication	Huang, Po-Jung; Natori, Yoshiki; Kitagawa, Yasutaka; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	3
Pages of publication	908 - 914
a	9.429 ± 0.006 Å
b	11.203 ± 0.007 Å
c	17.198 ± 0.011 Å
α	90°
β	101.896 ± 0.01°
γ	90°
Cell volume	1778 ± 2 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.1749
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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/7048340.html