Crystallography Open Database

Information card for entry 1513099

Preview

Coordinates	1513099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H71 N9 O19 Rh2
Calculated formula	C79 H71 N9 O19 Rh2
Title of publication	Rhodium paddlewheel dimers containing the π···π stacking, 1,8-naphthalimide supramolecular synthon
Authors of publication	Daniel L. Reger; Agota Debreczeni; Mark D. Smith
Journal of publication	Inorganica Chimica Acta
Year of publication	2011
Journal volume	378
Journal issue	1
Pages of publication	42 - 48
a	11.1223 ± 0.0007 Å
b	11.8226 ± 0.0007 Å
c	14.3795 ± 0.0009 Å
α	101.559 ± 0.001°
β	103.35 ± 0.001°
γ	96.669 ± 0.001°
Cell volume	1776.07 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513099.cif
91694	2013-12-13	cif/ Adding structures of 1513099 via cif-deposit CGI script.	1513099.cif