Crystallography Open Database

Information card for entry 7705220

Preview

Coordinates	7705220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H98 N2 O16 Rh4
Calculated formula	C58 H98 N2 O16 Rh4
SMILES	[Rh]1234([Rh]5([O]=C(O1)CCCCC)([O]([Rh]1678[Rh]([O]=C(O1)CCCCC)(OC(=[O]6)CCCCC)(OC(=[O]7)CCCCC)([O]=C([O]58)CCCCC)[n]1ccccc1)C(=[O]2)CCCCC)([O]=C(O3)CCCCC)OC(=[O]4)CCCCC)[n]1ccccc1
Title of publication	Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.
Authors of publication	Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	41
Pages of publication	14373 - 14377
a	30.1315 ± 0.0006 Å
b	10.2338 ± 0.00018 Å
c	22.3582 ± 0.0004 Å
α	90°
β	105.984 ± 0.002°
γ	90°
Cell volume	6627.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0521
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
258796 (current)	2020-11-06	cif/ Updating files of 7705218, 7705219, 7705220 Original log message: Adding full bibliography for 7705218--7705220.cif.	7705220.cif
255468	2020-08-20	cif/ Adding structures of 7705218, 7705219, 7705220 via cif-deposit CGI script.	7705220.cif