Crystallography Open Database

Information card for entry 7048337

Preview

Coordinates	7048337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 Cr2 O10
Calculated formula	C46 H58 Cr2 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	9.0987 ± 0.0012 Å
b	10.519 ± 0.0016 Å
c	12.2273 ± 0.0019 Å
α	81.196 ± 0.006°
β	74.405 ± 0.006°
γ	73.368 ± 0.005°
Cell volume	1076.3 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7048337.cif
212538	2018-12-12	cif/ Adding structures of 7048334, 7048335, 7048336, 7048337, 7048338, 7048339, 7048340, 7048341, 7048342 via cif-deposit CGI script.	7048337.cif