Crystallography Open Database

Information card for entry 4341347

Preview

Coordinates	4341347.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Rh(3,6-DBSQ-4,5-PDO)(CO)2]
Formula	C19 H24 O6 Rh
Calculated formula	C19 H24 O6 Rh
Title of publication	Multifunctional one-dimensional rhodium(i)-semiquinonato complex: substituent effects on crystal structures and solid-state properties.
Authors of publication	Mitsumi, Minoru; Ohtake, Shoji; Kakuno, Yuki; Komatsu, Yuuki; Ozawa, Yoshiki; Toriumi, Koshiro; Yasuda, Nobuhiro; Azuma, Nobuaki; Miyazaki, Yuji
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11710 - 11720
a	6.006 ± 0.001 Å
b	29.336 ± 0.001 Å
c	21.643 ± 0.001 Å
α	90°
β	94.592 ± 0.003°
γ	90°
Cell volume	3801.1 ± 0.7 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	180 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.5603 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179516 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/13.	4341347.cif
126974	2014-11-12	cif/ Updating files of 4341345, 4341346, 4341347 Original log message: Adding full bibliography for 4341345--4341347.cif.	4341347.cif
125683	2014-10-22	cif/ Adding structures of 4341347 via cif-deposit CGI script.	4341347.cif