Crystallography Open Database

Information card for entry 7048339

Preview

Coordinates	7048339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cr2 F12 O11
Calculated formula	C40 H22 Cr2 F12 O11
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	14.874 ± 0.003 Å
b	15.244 ± 0.003 Å
c	18.47 ± 0.004 Å
α	90°
β	95.212 ± 0.004°
γ	90°
Cell volume	4170.6 ± 1.5 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224591 (current)	2019-11-08	cif/ Updating files of 7048334, 7048335, 7048336, 7048337, 7048338, 7048339, 7048340, 7048341, 7048342 Original log message: Adding full bibliography for 7048334--7048342.cif.	7048339.cif
212538	2018-12-12	cif/ Adding structures of 7048334, 7048335, 7048336, 7048337, 7048338, 7048339, 7048340, 7048341, 7048342 via cif-deposit CGI script.	7048339.cif